SCHEMBL8074101

SCHEMBL8074101

CC[C@H](C)CCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
RARB P10826 5/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
PLA2G4B P0C869 7/20 0.60
HTT P42858 1/20 0.57
PKM P14618 1/20 0.56
PLA2G4A P47712 1/20 0.55
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8436025 1.00 MAPK1 (0.67) MAPK1RARBTP53TSHRPLA2G4B
Hydrochloric Acid SCHEMBL9812237 0.98 MAPK1 (0.65) MAPK1RARBTP53TSHRPLA2G4B
Hydrochloric Acid SCHEMBL9812242 0.98 MAPK1 (0.65) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL9711933 0.94 TP53 (0.68) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL9515560 0.94 TP53 (0.68) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL21172247 0.92 MAPK1 (0.73) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL8990095 0.92 MAPK1 (0.57) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL8990098 0.92 MAPK1 (0.57) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL10415543 0.89 MAPK1 (0.65) MAPK1RARBTP53TSHRPLA2G4B
SCHEMBL9868849 0.89 TP53 (0.69) MAPK1RARBTP53TSHRPLA2G4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7324051-A None JP disclosed
EP-0646636-B1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING & MFG (US) 2000-08-23 EP disclosed
US-6008401-A CONDENSATION REACTION BETWEEN 4-HALO OR NITRO SUBSTITUTED BENZONITRILE DERIVATIVE AND OTICALLY ACTIVE ALCOHOL PRODUCES AN OPTICALLY ACTIVE ALKOXYBENZONITRILE DERIVATIVE NIPPON OIL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
EP-0425304-B1 Liquid crystal device with grey scale MINNESOTA MINING & MFG (US) 1996-07-17 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
JP-H07324051-A FLUORINE-CONTAINING CHIRAL SMECTIC LIQUID CRYSTAL MINNESOTA MINING & MFG CO <3M> 1995-12-12 JP disclosed
EP-0646636-A1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-05 EP disclosed
US-5399291-A Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-5100577-A FERROELECTRIC LIQUID CRYSTAL MIXTURES AND COMPOUNDS AS WELL AS ELECTRO-OPTICAL DEVICES EMPLOYING SAME HOFFMAN-LA ROCHE INC. (US) 1992-03-31 US disclosed
US-5062691-A Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-11-05 US disclosed
EP-0225728-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTER AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1991-07-03 EP disclosed
EP-0425304-A2 Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-02 EP disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed
US-4759869-A Carbonic acid ester containing assymetrical carbon atom and benzene rings CHISSO CORPORATION (JP) 1988-07-26 US disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed
EP-0225728-A2 Liquid crystalline carbonic acid ester and liquid crystal composition containing same Chisso Corporation (JP) 1987-06-16 EP disclosed