SCHEMBL9710711

SCHEMBL9710711

CCOC(=O)C1CCCCN1C(=O)[C@@](N)(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ FKBP1A P62942 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ CASR P41180 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8954993 0.81 CASR (0.41) ALDH1A1TACR1F2PRSS1F10
SCHEMBL9710478 0.78 DPP4 (0.42) KMT2AMEN1TACR1F2PLAU
Iodide SCHEMBL9710508 0.76 F10 (0.51) F2PRSS1PLAUF10
SCHEMBL9710643 0.74 MMP8 (0.40) KMT2AALDH1A1KDM4ECASRLMNA
SCHEMBL9710558 0.74 MMP8 (0.38) KMT2AKDM4EF10CASRLMNA
SCHEMBL8954708 0.74 CASR (0.39) TACR1F2PRSS1PLAUF10
SCHEMBL8954772 0.74 F10 (0.40) TACR1F2PLAUF10CASR
SCHEMBL9710885 0.72 ACE (0.43) TACR1F2PRSS1F10
SCHEMBL7023692 0.72 F10 (0.56) F2PLAUF10
SCHEMBL9664400 0.72 ALDH1A1 (0.47) ALDH1A1F2PRSS1PLAUF10

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
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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