SCHEMBL8980655

SCHEMBL8980655

CCC(=O)c1cccc(C(=O)O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CASR P41180 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HMGCR P04035 1/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL39857 0.87 ALDH1A1 (0.55) APEX1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL699717 0.85 ALDH1A1 (0.53) APEX1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23108303 0.84 KMT2A (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL9720578 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL3661643 0.82 HPGD (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL4423235 0.82 HMGCR (0.50) ALDH1A1HPGDMAPTHMGCRHTT
SCHEMBL1261117 0.81 KMT2A (0.43) APEX1ALDH1A1KDM4EHSD17B10MRGPRX4
SCHEMBL4597098 0.81 HMGCR (0.41) HMGCRNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27759786 0.81 HPGD (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1648373 0.80 MRGPRX4 (0.55) APEX1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN claimed
JP-60064944-A None JP disclosed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN disclosed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed
JP-S6064944-A ACYLBENZOIC ACID DERIVATIVE AND PRODUCTION THEREOF SANKYO KASEI KOGYO KK 1985-04-13 JP disclosed