SCHEMBL8072049

SCHEMBL8072049

CC[C@@H](C)COc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
GPR88 Q9GZN0 7/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 1/20 0.38
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MAPT P10636 1/20 0.35
NQO1 P15559 1/20 0.34
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL385769 1.00 FFAR1 (0.46) FFAR1MAOAPTGS1GPR88GPBAR1
SCHEMBL4776330 1.00 FFAR1 (0.46) FFAR1MAOAPTGS1GPR88GPBAR1
SCHEMBL6538984 0.85 GPR88 (0.41) GPR88
SCHEMBL5259492 0.82 MAOA (0.38) FFAR1MAOAPTGS1LMNASIGMAR1
SCHEMBL7369438 0.82 MAOA (0.38) FFAR1MAOAPTGS1LMNAMAPT
SCHEMBL3090326 0.82 MAOA (0.36) FFAR1MAOAPTGS1GPR88LMNA
SCHEMBL159889 0.81 MAPT (0.43) MAOAPTGS1LMNAMAPT
SCHEMBL1462725 0.81 TDP1 (0.42) FFAR1NQO1SIGMAR1
SCHEMBL15653500 0.80 CYP2C9 (0.41) FFAR1MAOAPTGS1GPR88LMNA
SCHEMBL10406354 0.79 TDP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000248068-A ORGANIC SILICON HOMO- AND COPOLYMER HAVING CHIRAL SUBSTITUENT NIPPON TELEGR & TELEPH CORP <NTT> 2000-09-12 JP disclosed