SCHEMBL9500835

SCHEMBL9500835

CSc1ccc(C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)C(=O)C2(C(=O)OCc3ccccc3)CCCC2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
CYP3A4 P08684 5/20 0.38
TSHR P16473 4/20 0.38
KDM1A O60341 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAOA P21397 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CTRB1 P17538 2/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PLAU P00749 1/20 0.37
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9498764 0.92 CTRB1 (0.44) ECE1TRPM8CYP3A4TSHRKDM1A
SCHEMBL9499459 0.88 CYP3A4 (0.42) ECE1TRPM8CYP3A4TSHRKDM1A
SCHEMBL9500880 0.88 CYP3A4 (0.42) ECE1TRPM8CYP3A4TSHRKDM1A
SCHEMBL9502325 0.85 CYP3A4 (0.42) ECE1TRPM8CYP3A4TSHRKDM1A
SCHEMBL9498809 0.83 CYP3A4 (0.43) TRPM8CYP3A4TSHRKDM1AALDH1A1
SCHEMBL9499490 0.82 CYP3A4 (0.43) ECE1TRPM8CYP3A4TSHRKDM1A
SCHEMBL9500824 0.79 CTSB (0.43) ECE1TRPM8CYP3A4TSHRALDH1A1
SCHEMBL9502247 0.78 TRPM8 (0.54) TRPM8ALDH1A1CTRB1TOP2ATOP2B
SCHEMBL9512731 0.78 TRPM8 (0.54) TRPM8ALDH1A1CTRB1TOP2ATOP2B
SCHEMBL9500504 0.78 CYP3A4 (0.47) TRPM8CYP3A4TSHRKDM1AALDH1A1

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
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
US-5145872-A PEPTIDES WITH PHARMACEUTICAL ACTIVITY ZAMBON GROUP, S.P.A. (IT) 1992-09-08 US disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed