SCHEMBL7146525

SCHEMBL7146525

OCC1CCCSc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5172771 0.76 KDM4C (0.44) ALPLALPIKDM4CNPC1USP2
SCHEMBL9141452 0.73 HCRTR1 (0.44) HCRTR1ALPLALPINPC1USP2
SCHEMBL1913754 0.73 HCRTR1 (0.44) HCRTR1ALPLALPINPC1USP2
SCHEMBL15818455 0.71 KDM4C (0.43) HCRTR1ALPLALPIKDM4CNPC1
SCHEMBL21655317 0.71 KDM4C (0.43) ALPLALPIKDM4CNPC1USP2
SCHEMBL25675893 0.71 KDM4C (0.43) ALPLALPIKDM4CNPC1USP2
SCHEMBL7423767 0.71 HCRTR1 (0.44) HCRTR1ALPLALPIKDM4CNPC1
SCHEMBL8368454 0.70 KDM4C (0.51) ALPLALPIKDM4CNPC1USP2
SCHEMBL31522110 0.69 CYP19A1 (0.49) KDM4C
SCHEMBL1125535 0.69 CYP19A1 (0.49) KDM4C

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-1212316-B1 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-6479670-B1 Selective retinoid acid receptor agonists HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
EP-1212316-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-12 EP disclosed
WO-2001014360-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2001-03-01 WO disclosed