SCHEMBL11116591

SCHEMBL11116591

O=C(c1ccc(Cl)cc1)c1cccc(F)c1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
NR4A1 P22736 1/20 0.54
MAPK1 P28482 1/20 0.48
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
SRD5A2 P31213 2/20 0.44
CDK2 P24941 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MDM2 Q00987 1/20 0.42
MGLL Q99685 1/20 0.42
ERN1 O75460 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9390043 0.84 ALB (0.66) ALBMAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29779621 0.84 NR4A1 (0.65) NR4A1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1129231 0.84 NR4A1 (0.65) NR4A1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9807423 0.82 NR4A1 (0.58) NR4A1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9421742 0.82 NR4A1 (0.62) NR4A1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28807718 0.81 ALB (0.72) ALBMAPK1RAB9AALDH1A1KDM4E
SCHEMBL11527061 0.79 KDM4E (0.68) NR4A1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4551433 0.78 NR4A1 (0.62) ALBNR4A1MAPK1RAB9AALDH1A1
SCHEMBL29583954 0.78 NR4A1 (0.62) ALBNR4A1MAPK1RAB9AALDH1A1
SCHEMBL3444656 0.77 NR4A1 (0.84) NR4A1MAPK1RAB9AALDH1A1SRD5A2

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-4454350-A Process for the acylation of halo- or trihalomethylbenzenes RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1984-06-12 US disclosed