SCHEMBL21847982

SCHEMBL21847982

COc1ccc(COc2cnc(CCC(=O)O)cc2OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.57
FFAR4 Q5NUL3 6/20 0.53
ABCB1 P08183 1/20 0.49
MTNR1A P48039 1/20 0.47
AKR1B1 P15121 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL3595120 0.84 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL2767456 0.84 ALDH1A1 (0.48) FFAR1ABCB1MTNR1ACTSLCTSB
SCHEMBL3587465 0.81 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL9366721 0.79 NPC1 (0.47) ABCB1
SCHEMBL21037538 0.77 NPC1 (0.48) ABCB1
SCHEMBL21847981 0.77 ABCB1 (0.46) FFAR1ABCB1MTNR1ACTSLCTSB
SCHEMBL10532890 0.76 KDM4E (0.55) FFAR1
SCHEMBL7822529 0.76 FFAR4 (0.73) FFAR1FFAR4MTNR1A
SCHEMBL9179664 0.76 BRS3 (0.53)
SCHEMBL15318884 0.76 MAOB (0.54) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed