SCHEMBL8980558

SCHEMBL8980558

CCC(=O)c1cccc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.50
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
LMNA P02545 1/20 0.44
NR4A2 P43354 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
FOLH1 Q04609 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAOB P27338 2/20 0.42

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
SCHEMBL8980703 0.89 ALDH1A1 (0.62) PTGER1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL15716510 0.89 ALDH1A1 (0.58) PTGER1ALDH1A1HPGDCTSVCTSL
SCHEMBL8980579 0.86 TSHR (0.53) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL5313068 0.85 NPC1 (0.50) PTGER1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL8980650 0.84 MAOB (0.54) PTGER1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8980593 0.84 MAOB (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27894245 0.84 PTGER1 (0.47) PTGER1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL27960171 0.84 NPC1 (0.56) RAB9ASMN1; SMN2HPGDNPC1MEN1
SCHEMBL27894248 0.83 RXRA (0.48) PTGER1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL28877532 0.82 ALDH1A1 (0.56) PTGER1ALDH1A1HPGDHTTLMNA

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 4 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
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