SCHEMBL29890076

SCHEMBL29890076

O=C(c1cccc(OCc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.70
MAOB P27338 3/20 0.67
SMPD1 P17405 1/20 0.63
SRD5A2 P31213 1/20 0.62
PTPN1 P18031 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.58
HPD P32754 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56

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
SCHEMBL26933189 1.00 NR4A2 (0.70) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL4403920 0.93 MRGPRX4 (0.63) NR4A2MAOBMRGPRX4
SCHEMBL12746033 0.92 MRGPRX4 (0.64) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL7764407 0.83 NR4A2 (0.68) NR4A2MAOBSRD5A2PTPN1NR4A1
SCHEMBL7908051 0.83 SRD5A2 (0.85) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL339009 0.83 NR4A2 (1.00) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL30207018 0.83 NR4A2 (1.00) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL3442746 0.81 NR4A2 (0.79) NR4A2MAOBSMPD1SRD5A2PTPN1
Hydrochloric Acid SCHEMBL4748074 0.81 NR4A2 (0.97) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL5268537 0.80 NR4A2 (0.59) NR4A2MAOBSMPD1SRD5A2PTPN1

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-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
WO-2022201097-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-09-29 WO disclosed