SCHEMBL9294341

SCHEMBL9294341

CCC(C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
AKR1C3 P42330 5/20 0.43
AKR1C2 P52895 5/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10345479 0.89 KCNQ2 (0.45) KCNQ2MAPTKMT2AHTTL3MBTL1
SCHEMBL20520340 0.89 PPARG (0.49) KCNQ2MAPTKMT2AHTTL3MBTL1
SCHEMBL8366593 0.86 KMT2A (0.46) KCNQ2MAPTKMT2AHTTL3MBTL1
SCHEMBL2393158 0.85 AKR1C3 (0.48) KCNQ2MAPTHTTAKR1C3AKR1C2
SCHEMBL11069820 0.83 SOAT1 (0.44) KCNQ2MAPTKMT2APPARAPPARG
SCHEMBL29418186 0.82 SOAT1 (0.47) KCNQ2MAPTKMT2APPARAPPARG
SCHEMBL11109504 0.81 KMT2A (0.49) KCNQ2MAPTKMT2AL3MBTL1PPARA
SCHEMBL13465547 0.81 KMT2A (0.45) KCNQ2MAPTKMT2APPARAPPARG
SCHEMBL2395284 0.81 AKR1C3 (0.46) KCNQ2MAPTKMT2APPARAPPARG
SCHEMBL29154198 0.81 ALDH1A1 (0.43) KCNQ2MAPTKMT2AL3MBTL1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326495-A Tetrasubstituted methanes having liquid-crystalline properties CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-07-05 US disclosed
US-5045336-A Reducing sweet taste of high sugar foods, organic acids and acid salts AMSTAR SUGAR CORPORATION (US) 1991-09-03 US disclosed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP disclosed
EP-0159864-A2 Method of modifying taste TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1985-10-30 EP disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed