SCHEMBL7825875

SCHEMBL7825875

Cc1cc(C=O)c(C)n1-c1ccc(C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.75
L3MBTL1 Q9Y468 7/20 0.75
KDM4E B2RXH2 4/20 0.75
CTDSP1 Q9GZU7 3/20 0.75
CASP6 P55212 2/20 0.75
HTT P42858 1/20 0.75
TDP1 Q9NUW8 5/20 0.72
APEX1 P27695 4/20 0.72
ALDH1A1 P00352 16/20 0.68
RECQL P46063 2/20 0.64
NSD2 O96028 1/20 0.64
PKM P14618 1/20 0.64
CASP3 P42574 1/20 0.64
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPK1 P28482 3/20 0.62
TSHR P16473 1/20 0.62
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL15331075 0.86 POLB (0.60) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL15331958 0.84 POLB (1.00) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL10405471 0.84 POLB (0.57) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL17802297 0.82 ALDH1A1 (0.65) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL645648 0.82 POLB (0.68) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL8599178 0.81 ALDH1A1 (0.75) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL2560918 0.81 KLKB1 (0.60) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL15331428 0.81 ALDH1A1 (1.00) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL2562958 0.81 ALDH1A1 (0.80) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL21225472 0.79 ALDH1A1 (0.62) POLBL3MBTL1KDM4ECTDSP1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed