SCHEMBL599493

SCHEMBL599493

Cc1ccc([C@@H](C)C(=O)OC(c2cc3ccccc3c3ccccc23)c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR3 P29371 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
PTGS2 P35354 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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 0.91 TACR3 (0.43) AKR1B1TDP1L3MBTL1TACR3PTGS2
SCHEMBL598171 0.89 UTS2R (0.38) AKR1B1TDP1L3MBTL1TACR3PTGS2
SCHEMBL599408 0.88 TDP1 (0.49) TDP1L3MBTL1PTGS2MGAMGAA
SCHEMBL598815 0.84 RAB9A (0.39) AKR1B1L3MBTL1GAAKMT2AAKR1C3
SCHEMBL17681437 0.79 ALDH1A1 (0.40) KMT2AMAPTHPGD
SCHEMBL30532623 0.76 LMNA (0.45) PTGS2PGRPTGS1PDE4AKMT2A
SCHEMBL598409 0.74 KDM4E (0.43) TDP1L3MBTL1GAAKMT2AMAPT
SCHEMBL17681406 0.74 ALDH1A1 (0.39) AKR1B1PTGS2PTGS1HPGDAKR1C3
SCHEMBL599730 0.74 ALDH1A1 (0.47) AKR1B1PTGS2GAAPTGS1HPGD
SCHEMBL600002 0.73 UTS2R (0.44) PTGS2

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