SCHEMBL9101894

SCHEMBL9101894

NC(=O)c1ccc(CCCc2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.55
ESR1 P03372 4/20 0.50
ESR2 Q92731 2/20 0.50
DPP4 P27487 1/20 0.50
CA2 P00918 1/20 0.50
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
CALM1 P0DP23 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48
ADRA2A P08913 3/20 0.48
SLC6A2 P23975 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTR1A P08908 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 2/20 0.47

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
SCHEMBL30874766 0.83 ESRRG (0.50) PARP10ESR1ESR2DPP4CA2
SCHEMBL28823636 0.82 PARP10 (0.74) PARP10ESR1ESR2CA2ALDH1A1
SCHEMBL162830 0.82 PARP10 (0.74) PARP10ESR1ESR2CA2ALDH1A1
Hydroquinone SCHEMBL8674228 0.82 PARP10 (0.74) PARP10ESR1ESR2CA2ALDH1A1
SCHEMBL31753785 0.82 TDP1 (0.49) PARP10PLA2G10PLA2G2AKDM4EALDH1A1
SCHEMBL9101705 0.82 CA12 (0.67) ESR1ESR2DPP4CA2CALM1
SCHEMBL6933368 0.82 CYP4A11 (0.59) PARP10DPP4CA2PLA2G10PLA2G2A
SCHEMBL4037830 0.82 PLA2G10 (0.52) PARP10ESR1ESR2PLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL3139339 0.80 PARP10 (0.71) PARP10ESR1ESR2CA2ALDH1A1
SCHEMBL28831945 0.80 PARP10 (0.71) PARP10ESR1ESR2CA2ALDH1A1

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-0712388-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT Roche Diagnostics GmbH (DE) 1996-05-22 EP disclosed
WO-1995005358-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT BOEHRINGER MANNHEIM GMBH (DE) 1995-02-23 WO disclosed