SCHEMBL8942607

SCHEMBL8942607

O=C(O)/C=C/c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALOX5 P09917 2/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
P2RX3 P56373 2/20 0.55
SRD5A2 P31213 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
RHOA P61586 1/20 0.53
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
FFAR1 O14842 1/20 0.50
EPOR P19235 1/20 0.49

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
SCHEMBL8783371 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL6829496 0.90 LMNA (0.64) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL6829500 0.90 LMNA (0.64) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL1206897 0.89 ALOX5 (0.68) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL30014477 0.89 ALOX5 (0.68) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL1206895 0.89 ALOX5 (0.68) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
Hydrochloric Acid SCHEMBL11175049 0.88 ALOX5 (0.67) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL9514221 0.87 ALOX5 (0.56) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL9514207 0.87 ALOX5 (0.56) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL6827969 0.87 KMO (0.58) ALDH1A1KDM4ESMN1; SMN2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed