SCHEMBL1387986

SCHEMBL1387986

COc1ccc(COc2ccccc2C(=O)O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.64
LMNA P02545 2/20 0.64
RXRA P19793 1/20 0.61
MRGPRX4 Q96LA9 3/20 0.60
ABCB1 P08183 3/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
CTSV O60911 1/20 0.58
CTSL P07711 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 1/20 0.56
CYP2C9 P11712 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.56
FOLH1 Q04609 2/20 0.55
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL28662878 0.87 NPSR1 (0.58) HTTLMNARXRAMRGPRX4CTSV
SCHEMBL1387886 0.86 ABCB1 (0.58) HTTLMNARXRAMRGPRX4ABCB1
SCHEMBL11770598 0.83 MRGPRX4 (0.74) HTTLMNAMRGPRX4ALDH1A1HPGD
SCHEMBL12963323 0.83 ABCB1 (0.73) HTTLMNARXRAMRGPRX4ABCB1
SCHEMBL1388037 0.82 RXRA (0.60) HTTRXRAABCB1ALDH1A1SMN1; SMN2
SCHEMBL1388008 0.82 MRGPRX4 (0.59) MRGPRX4ABCB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28346227 0.81 RXRA (0.56) HTTLMNARXRAMRGPRX4ALDH1A1
SCHEMBL5839701 0.81 ABCB1 (0.58) HTTLMNARXRAMRGPRX4ABCB1
SCHEMBL112903 0.80 SGMS2 (0.66) HTTLMNAALDH1A1NPC1FOLH1
SCHEMBL29433417 0.80 SGMS2 (0.66) HTTLMNAALDH1A1NPC1FOLH1

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
JP-H09500883-A 1997-01-28 JP claimed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO claimed