SCHEMBL6844067

SCHEMBL6844067

O=C1C=C(C(=O)O)C(c2cccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 3/20 0.38
DAO P14920 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
BRDT Q58F21 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL7988000 1.00 POLB (0.42) POLBGAAMAPTBRD4DAO
SCHEMBL7969978 0.76 CTRB1 (0.46) POLBHCAR2MEN1KMT2A
SCHEMBL7991029 0.76 CTRB1 (0.46) POLBHCAR2MEN1KMT2A
SCHEMBL7973421 0.73 CYP19A1 (0.39) POLBGAADAOHCAR2HPGD
SCHEMBL25559842 0.71 KDM4E (0.37) POLBGAAMAPTBRD4DAO
SCHEMBL6652713 0.66 ALDH1A1 (0.40) POLBGAAMAPTHPGDTSHR
SCHEMBL8111417 0.66 IDO1 (0.48) POLBGAAMAPTBRD4KDM4E
SCHEMBL7634543 0.65 POLB (0.41) POLBGAAMAPTBRD4HPGD
SCHEMBL3437947 0.65 TLR4 (0.40) POLBGAAMAPTHPGDTSHR
Cyclopentane SCHEMBL27502826 0.64 TLR4 (0.39) POLBGAAMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206452-B1 NOVEL METHOD FOR PREPARING BENZOPERHYDROISOINDOLE COMPOUNDS AVENTIS PHARMA SA (FR) 2004-11-03 EP disclosed
US-6291679-B1 REACTING 3-OXO-6-PHENYLCYCLOHEX-1-ENE-1-CARBOXYLATE WITH ENZYME FORMING OPTICAL ISOMER; TREATING WITH AMINE PROTECTED N-TRIALKYLSILYLMETHYL-N-(ALKOXYMETHYL)AMINE TO FORM PHENYLPERHYDROISOINDOLE-3A-CARBOXYLATE DERIVATIVE, CYCLIZATION RHONE-POULENC RORER S.A. (FR) 2001-09-18 US disclosed
EP-1042329-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL, COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES Aventis Pharma S.A. (FR) 2000-10-11 EP disclosed
WO-1999033834-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES AVENTIS PHARMA S.A. (FR) 1999-07-08 WO disclosed