SCHEMBL2781840

SCHEMBL2781840

CCN(CCCc1ccc(C(=O)NC(O)CCC(=O)O)cc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCKBR P32239 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ DHFR P00374 1/20 0.37

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
SCHEMBL2784683 0.83 FFAR1 (0.47) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2781727 0.81 RARB (0.45) LMNAKMT2AMEN1HTTHPGD
SCHEMBL2783032 0.80 CXCR2 (0.47) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2132234 0.77 EPHX2 (0.55) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2781686 0.77 CYP1A2 (0.48) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2780994 0.76 HRH3 (0.40) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2780743 0.74 TRPV1 (0.37) —
SCHEMBL2782718 0.73 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19
SCHEMBL2779102 0.73 MRGPRX4 (0.47) LMNAKMT2AMEN1HTTHPGD
SCHEMBL2779974 0.70 POLB (0.42) TDP1LMNAHSD17B10KMT2AMEN1

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
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO claimed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
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