SCHEMBL7757382

SCHEMBL7757382

NC(=O)CN(CCOCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
ALOX5 P09917 4/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
PARP10 Q53GL7 1/20 0.50
MAOB P27338 2/20 0.49
BCHE P06276 2/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TSPO P30536 1/20 0.45

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
SCHEMBL7760534 0.88 L3MBTL1 (0.56) L3MBTL1ALOX5PTGS1PTGS2PARP10
Hydrochloric Acid SCHEMBL7865895 0.81 LPAR1 (0.52) L3MBTL1ALOX5PTGS1PTGS2PARP10
SCHEMBL10502279 0.80 PPARG (0.56) L3MBTL1PPARGPPARAMAOB
SCHEMBL11840883 0.75 L3MBTL1 (0.57) L3MBTL1ALOX5PTGS1PTGS2MAOB
SCHEMBL7758232 0.75 BCHE (0.52) ALOX5MAOBBCHEFFAR1NR4A2
SCHEMBL11465304 0.75 TSHR (0.54) L3MBTL1PPARGPPARABCHE
SCHEMBL6906964 0.75 NPC1 (0.47)
SCHEMBL8935257 0.74 ALOX5 (0.52) L3MBTL1ALOX5PTGS1PTGS2PARP10
SCHEMBL10465707 0.74 ALOX5 (0.58) L3MBTL1ALOX5PTGS1PTGS2PARP10
SCHEMBL4950622 0.74 NR1H3 (0.53) L3MBTL1ALOX5PTGS1PTGS2

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-1077949-A2 COMBINATIONS OF PROTEIN FARNESYLTRANSFERASE AND HMG COA REDUCTASE INHIBITORS AND THEIR USE TO TREAT CANCER WARNER-LAMBERT COMPANY (US) 2001-02-28 EP claimed
WO-1999058505-A2 COMBINATIONS OF PROTEIN FARNESYLTRANSFERASE AND HMG COA REDUCTASE INHIBITORS AND THEIR USE TO TREAT CANCER WARNER-LAMBERT COMPANY (US) 1999-11-18 WO claimed
EP-0767800-B1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2001-03-28 EP disclosed
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed