SCHEMBL15640906

SCHEMBL15640906

[CH2]c1cc(C(=O)OCC)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
CREBBP Q92793 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACR P10323 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL434805 0.81 MEN1 (0.61) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL31286841 0.80 CYP1A2 (0.50) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL162619 0.80 CYP1A2 (0.50) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL17723606 0.79 CYP1A2 (0.49) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL892581 0.79 MAPT (0.50) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL4910389 0.79 CYP1A2 (0.49) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL4478920 0.79 CYP1A2 (0.49) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL6371541 0.79 MAPT (0.56) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL21523835 0.79 ALDH1A1 (0.49) CYP1A2MEN1KMT2ATSHRMAPT
SCHEMBL19407110 0.79 CYP1A2 (0.49) CYP1A2MEN1KMT2ATSHRMAPT

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-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed