SCHEMBL6932748

SCHEMBL6932748

Cc1cc(CNCCc2cc(OC(F)(F)F)ccc2OCc2ccc(Br)cc2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 3/20 0.47
USP25 Q9UHP3 3/20 0.47
PPARA Q07869 3/20 0.44
PTGER1 P34995 2/20 0.43
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
HTT P42858 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MEN1 O00255 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HTR2A P28223 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL6699108 0.86 USP28 (0.50) USP28USP25PTGER1KMT2ASMN1; SMN2
SCHEMBL3774515 0.84 HTT (0.54) USP28USP25PPARAPTGER1HTT
SCHEMBL6700864 0.78 RXRA (0.51) USP28USP25PTGER1KDM4ERXRA
SCHEMBL6700568 0.73 MAOB (0.48) USP28USP25PTGER1HTTRXRA
SCHEMBL6932427 0.73 RXRA (0.42) PPARAKMT2AKDM4EMEN1RXRA
SCHEMBL6699769 0.73 USP28 (0.47) USP28USP25PTGER1
SCHEMBL6696303 0.72 USP28 (0.54) USP28USP25PTGER1KMT2ASMN1; SMN2
SCHEMBL6702523 0.71 PTGER1 (0.47) USP28USP25PPARAPTGER1PPARD
SCHEMBL6701726 0.71 USP28 (0.49) USP28USP25PTGER1KMT2ASMN1; SMN2
SCHEMBL16839022 0.71 PPARD (0.46) PPARAPPARGPPARDMRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368300-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070462-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed