SCHEMBL9879643

SCHEMBL9879643

C/C=C/c1ccccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.45
BCHE P06276 1/20 0.38
GUSB P08236 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 3/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL25139607 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15BCHEGUSBMEN1
Hydrochloric Acid SCHEMBL27463346 0.98 ALDH1A1 (0.44) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL894922 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL28836884 0.87 ALDH1A1 (0.41) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL27715967 0.82 BCHE (0.39) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL728576 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15MEN1KMT2AMAPT
SCHEMBL357341 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15MEN1KMT2AMAPT
SCHEMBL891695 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15MEN1KMT2AMAPT
SCHEMBL23226919 0.82 LMNA (0.41) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL5678522 0.80 ALDH1A1 (0.47) ALDH1A1BCHEGUSBMEN1KMT2A

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
CN-101910144-A P-hydroxy-phenyl acrylic acid derivative and application thereof JINLONG MAO 2010-12-08 CN disclosed
US-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed