SCHEMBL7840899

SCHEMBL7840899

OCc1cccc(OCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.59
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LMNA P02545 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2524154 0.85 L3MBTL1 (0.52) TRPV3LMNACYP1A2PTGS1SLC6A2
SCHEMBL24754816 0.84 TRPV3 (0.57) TRPV3LMNAKCNH2MAPK1L3MBTL1
SCHEMBL7832327 0.83 TRPV3 (0.52) TRPV3KCNH2MAPK1L3MBTL1MAPT
SCHEMBL30931690 0.83 TRPV3 (0.52) TRPV3KCNH2MAPK1L3MBTL1MAPT
SCHEMBL23121539 0.83 TRPV3 (0.52) TRPV3KCNH2MAPK1L3MBTL1MAPT
SCHEMBL2632843 0.83 TRPV3 (0.56) TRPV3LMNAKCNH2MAPK1L3MBTL1
SCHEMBL23121618 0.81 TRPV3 (0.60) TRPV3LMNAL3MBTL1ALDH1A1HTT
SCHEMBL23121605 0.80 TRPV3 (0.50) TRPV3HTTADRB1ADRB3GRM5
SCHEMBL13059001 0.79 TRPV3 (0.49) TRPV3KCNH2MAPK1L3MBTL1MAPT
SCHEMBL5905629 0.79 MEN1 (0.47) TRPV3CYP4F2CYP4A11LMNACYP1A2

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed