SCHEMBL18901680

SCHEMBL18901680

O=C(Cc1ccccc1)N1CCCC1C(O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.51
▸ MC3R P41968 2/20 0.51
▸ MC1R Q01726 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ TACR3 P29371 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AADAT Q8N5Z0 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL19258607 0.79 PREP (0.63) L3MBTL1SMN1; SMN2TSHR
SCHEMBL12599420 0.79 ALDH1A1 (0.68) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL27918437 0.79 MC4R (0.53) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL474618 0.79 ACE (0.60) MC4RMC3RMC1RALDH1A1L3MBTL1
SCHEMBL3462006 0.79 MC4R (0.53) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3462009 0.79 ALDH1A1 (0.68) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL474742 0.79 ACE (0.60) MC4RMC3RMC1RALDH1A1L3MBTL1
SCHEMBL10507780 0.78 MC4R (0.55) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL10510159 0.78 MC4R (0.52) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL10507773 0.78 MC4R (0.55) MC4RMC3RMC1RALDH1A1KDM4E

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-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
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