SCHEMBL7900490

SCHEMBL7900490

O=C(CC12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
HSP90AA1 P07900 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
GPR55 Q9Y2T6 1/20 0.48
P2RX7 Q99572 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2C9 P11712 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABL1 P00519 1/20 0.43
POLB P06746 1/20 0.43
ALPI P09923 1/20 0.43

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
SCHEMBL14648365 0.85 GPR55 (0.50) MAPTGPR55P2RX7MEN1KMT2A
SCHEMBL28093665 0.84 P2RX7 (0.61) CNR2MAPTP2RX7MEN1KMT2A
SCHEMBL7900604 0.81 CNR2 (0.57) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL29171626 0.78 PTPN1 (0.53) GPR55P2RX7MEN1KMT2APTPN1
SCHEMBL1397704 0.77 P2RX7 (0.53) CNR2MAPTP2RX7MEN1KMT2A
SCHEMBL12932448 0.77 P2RX7 (0.75) GPR55P2RX7MEN1KMT2APOLB
SCHEMBL7206350 0.69 SMN1; SMN2 (0.41) GPR55P2RX7KMT2AALDH1A1EPHX2
SCHEMBL2917775 0.69 CNR2 (1.00) CNR2MAPTMEN1KMT2AALDH1A1
SCHEMBL16451620 0.69 ALDH1A1 (0.55) P2RX7KMT2AALDH1A1EPHX2
SCHEMBL3021927 0.68 ALDH1A1 (0.59) P2RX7KMT2AALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194450-B1 KERATINIZATION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-02-27 US disclosed
US-5849798-A Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-12-15 US disclosed
EP-0732328-B1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CIRD GALDERMA (FR) 1998-09-09 EP disclosed
EP-0732328-A1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1996-09-18 EP disclosed
US-RE32581-E Certain substituted phenyl esters of nicotinic acid, compositions and methods of using same for treatment of hyperlipidemia MERZ + CO. GMBH & CO. (DE) 1988-01-19 US disclosed
US-4412998-A ANTILIPEMIC MERZ & COMPANY (DE) 1983-11-01 US disclosed
US-4321268-A Certain substituted phenyl esters of nicotinic acid, compositions and methods of using same MERZ & CO. (DE) 1982-03-23 US disclosed