SCHEMBL7880283

SCHEMBL7880283

CCCCC[C@H]1CC[C@H](OC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.48
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM5A P29375 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11503016 0.98 NAAA (0.47) NAAATP53PKMMAPTHTT
SCHEMBL9152080 0.95 NAAA (0.45) NAAATP53PKMMAPTHTT
SCHEMBL10381624 0.95 NAAA (0.45) NAAATP53PKMMAPTHTT
SCHEMBL11198503 0.94 NAAA (0.44) NAAATP53PKMMAPTHTT
SCHEMBL11196185 0.90 NAAA (0.49) NAAATP53PKMMAPTHTT
SCHEMBL10996045 0.90 NAAA (0.49) NAAATP53PKMMAPTHTT
SCHEMBL10718850 0.87 NAAA (0.41) NAAATP53MAPTKMT2ACYP2C9
SCHEMBL10812458 0.87 NAAA (0.41) NAAATP53MAPTKMT2ACYP2C9
SCHEMBL11294835 0.84 NAAA (0.40) NAAATP53PKMMAPTHTT
SCHEMBL10680255 0.84 NAAA (0.47) NAAATP53PKMMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618914-B1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-10-17 EP disclosed
EP-0618914-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed
EP-0603786-A2 Alkyl-substituted hydroquinone derivatives for use in ferro-electric liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed
EP-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed
WO-1993013093-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0367771-B1 ARYL SULPHUR PENTAFLUORIDES MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0381728-A1 DIFLUOROMETHYL COMPOUNDS. MERCK PATENT GMBH (DE) 1990-08-16 EP disclosed
EP-0367771-A1 ARYL SULPHUR PENTAFLUORIDES. MERCK PATENT GMBH (DE) 1990-05-16 EP disclosed
WO-1990001056-A1 DIFLUOROMETHYL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-02-08 WO disclosed
WO-1988010251-A1 ARYL SULPHUR PENTAFLUORIDES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-12-29 WO disclosed
EP-0139996-B1 ANISOTROPIC COMPOUNDS AND LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1987-11-04 EP disclosed
EP-0139996-A1 Anisotropic compounds and liquid crystal mixtures MERCK PATENT GmbH (DE) 1985-05-08 EP disclosed