SCHEMBL7714607

SCHEMBL7714607

Cc1ccc(CCC(C)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ PLAAT3 P53816 2/20 0.42
▸ PLAAT5 Q96KN8 2/20 0.42
▸ PLAAT2 Q9NWW9 2/20 0.42
▸ PLAAT4 Q9UL19 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL17590311 0.81 TSHR (0.50) FFAR1TDP1L3MBTL1DPP4ALDH1A1
SCHEMBL25181550 0.81 TSHR (0.50) FFAR1TDP1L3MBTL1DPP4ALDH1A1
SCHEMBL16315019 0.80 CYP1A2 (0.45) FFAR1TDP1L3MBTL1DPP4PLAAT3
SCHEMBL12400797 0.79 FFAR1 (0.47) FFAR1TDP1L3MBTL1DPP4ALDH1A1
SCHEMBL11825954 0.78 S1PR2 (0.47) FFAR1TDP1L3MBTL1DPP4ALDH1A1
SCHEMBL17726118 0.77 NPC1 (0.44) FFAR1TDP1L3MBTL1DPP4ALDH1A1
SCHEMBL16148061 0.76 KIF11 (0.54) FFAR1TDP1L3MBTL1DPP4CYP1A2
SCHEMBL28741540 0.76 KIF11 (0.54) FFAR1TDP1L3MBTL1DPP4CYP1A2
SCHEMBL16148063 0.76 KIF11 (0.54) FFAR1TDP1L3MBTL1DPP4CYP1A2
SCHEMBL11827938 0.76 FFAR1 (0.45) FFAR1TDP1L3MBTL1DPP4PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 — — US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 — — EP disclosed
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