SCHEMBL598171

SCHEMBL598171

C[C@@H](C(=O)OC(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.38
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACP3 P15309 1/20 0.36
PTGS2 P35354 1/20 0.35
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR2 O15552 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL600006 0.90 TACR3 (0.43) AKR1B1TDP1L3MBTL1PTGS2TACR3
SCHEMBL599493 0.89 AKR1B1 (0.39) AKR1B1TDP1L3MBTL1PTGS2TACR3
SCHEMBL599408 0.86 TDP1 (0.49) TDP1L3MBTL1PTGS2ALDH1A1KDM4E
SCHEMBL600002 0.85 UTS2R (0.44) UTS2RACP3PTGS2ALDH1A1
SCHEMBL17681437 0.78 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2A
SCHEMBL30532625 0.77 IDO1 (0.50) L3MBTL1PTGS2MEN1MAPTHTT
SCHEMBL17681452 0.75 ALDH1A1 (0.39) AKR1B1PTGS2TACR3ALDH1A1KDM4E
SCHEMBL598409 0.73 KDM4E (0.43) TDP1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL599730 0.73 ALDH1A1 (0.47) AKR1B1PTGS2ALDH1A1HTTLMNA
SCHEMBL598815 0.73 RAB9A (0.39) AKR1B1L3MBTL1ALDH1A1MEN1KMT2A

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
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed