SCHEMBL7777402

SCHEMBL7777402

COc1cccc2c1CCC(CO)=C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
TSHR P16473 1/20 0.36
HTR5A P47898 1/20 0.36

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
SCHEMBL7779663 0.83 DRD2 (0.39) ALDH1A1CYP3A4DRD2DRD3DRD4
SCHEMBL9164682 0.81 TTR (0.41) ALDH1A1LMNAHPGDMEN1HTR1A
SCHEMBL27431998 0.81 ALDH1A1 (0.37) NOTUMALDH1A1CYP3A4DRD2DRD3
SCHEMBL9005543 0.77 BCL2L1 (0.37) DRD2DRD3DRD1DRD5
SCHEMBL8411290 0.77 PTGIR (0.56) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6825674 0.76 CYP19A1 (0.47) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL9047485 0.75 ALDH1A1 (0.41) NOTUMALDH1A1CYP3A4DRD2DRD3
SCHEMBL7779651 0.74 PTGIR (0.35)
SCHEMBL5784077 0.74 ALDH1A1 (0.40) NOTUMALDH1A1CYP3A4DRD2DRD3
SCHEMBL30715537 0.74 ALDH1A1 (0.40) NOTUMALDH1A1CYP3A4DRD2DRD3

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-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed