SCHEMBL18874204

SCHEMBL18874204

COc1ccc(NC2(C(=O)O)CC3CCCCC3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.61
▸ SIGMAR1 Q99720 3/20 0.42
▸ PDE5A O76074 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ C5AR1 P21730 1/20 0.38

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
SCHEMBL1560844 0.86 LPAR1 (0.81) LPAR1SIGMAR1PDE5APDE1APDE1B
SCHEMBL18873929 0.83 LPAR1 (0.55) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18873931 0.81 LPAR1 (0.53) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874049 0.81 LPAR1 (0.55) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874422 0.79 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874408 0.79 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874305 0.79 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874390 0.79 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874414 0.79 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874036 0.76 LPAR1 (0.56) LPAR1SIRT2NPSR1POLBC5AR1

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
Send feedback