SCHEMBL8990098

SCHEMBL8990098

CCC(C)CCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
MAPT P10636 2/20 0.56
RARB P10826 5/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 4/20 0.52
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8990095 1.00 MAPK1 (0.57) MAPK1MAPTRARBTP53TSHR
SCHEMBL8436025 0.92 MAPK1 (0.67) MAPK1MAPTRARBTP53TSHR
SCHEMBL8074101 0.92 MAPK1 (0.67) MAPK1MAPTRARBTP53TSHR
Hydrochloric Acid SCHEMBL9812237 0.90 MAPK1 (0.65) MAPK1MAPTRARBTP53TSHR
Hydrochloric Acid SCHEMBL9812242 0.90 MAPK1 (0.65) MAPK1MAPTRARBTP53TSHR
SCHEMBL8018492 0.88 LMNA (0.64) MAPTRARBTP53TSHRPLA2G4B
SCHEMBL9711357 0.88 LMNA (0.64) MAPTRARBTP53TSHRPLA2G4B
SCHEMBL8990116 0.88 LMNA (0.64) MAPTRARBTP53TSHRPLA2G4B
SCHEMBL8990105 0.88 LMNA (0.64) MAPTRARBTP53TSHRPLA2G4B
SCHEMBL7778269 0.88 LMNA (0.64) MAPTRARBTP53TSHRPLA2G4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425304-B1 Liquid crystal device with grey scale MINNESOTA MINING & MFG (US) 1996-07-17 EP disclosed
US-5062691-A Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-11-05 US disclosed
EP-0425304-A2 Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-02 EP disclosed