SCHEMBL27632253

SCHEMBL27632253

Cc1cc(C(=O)O)ccc1OCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.51
▸ MAX P61244 2/20 0.51
▸ RXRA P19793 2/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ EP300 Q09472 2/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PTGER1 P34995 2/20 0.47

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
SCHEMBL15660519 0.87 MYC (0.54) MYCMAXRXRARXRBRXRG
SCHEMBL2713307 0.86 MRGPRX4 (0.49) MYCRXRARXRBRXRGMRGPRX4
SCHEMBL28607405 0.84 PTPN11 (0.51) MYCMAXRXRARXRBRXRG
SCHEMBL9623925 0.83 POLB (0.55) MYCMRGPRX4
SCHEMBL15662429 0.83 MRGPRX4 (0.54) MYCMAXRXRARXRBRXRG
SCHEMBL4275354 0.83 CA12 (0.67) MYCMAXMRGPRX4
SCHEMBL10798892 0.83 EP300 (0.56) MYCMAXRXRARXRBRXRG
SCHEMBL17908022 0.83 TSHR (0.69) MRGPRX4
SCHEMBL701512 0.81 TSHR (0.68) MRGPRX4TAS1R3TAS1R1
SCHEMBL2594977 0.80 POLB (0.47) MRGPRX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101619057-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC 2010-01-06 — — CN disclosed
CN-100509804-C N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2009-07-08 — — CN disclosed
CN-1675201-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2005-09-28 — — CN disclosed
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