SCHEMBL23536653

SCHEMBL23536653

O=CCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
NR4A2 P43354 2/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
MAOB P27338 7/20 0.46
MAOA P21397 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
AR P10275 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL6943499 0.85 MEN1 (0.59) MAPTNR4A2MAOBMAOAMEN1
SCHEMBL5766322 0.83 MAOA (0.60) POLBMAPTNR4A2MRGPRX4MAOB
SCHEMBL15880914 0.82 MAOB (0.48) NR4A2MRGPRX4MAOBFFAR1FFAR4
SCHEMBL5764984 0.82 NR4A2 (0.50) NR4A2MRGPRX4MAOBFFAR1FFAR4
SCHEMBL23536709 0.82 MAOB (0.48) MAPTNR4A2MRGPRX4MAOBFFAR1
SCHEMBL18740137 0.82 MAOB (0.48) NR4A2MRGPRX4MAOBFFAR1FFAR4
SCHEMBL136463 0.82 RXRA (0.56) NR4A2MRGPRX4MAOBFFAR1FFAR4
SCHEMBL18003540 0.80 MAOB (0.60) POLBMAPTNR4A2MRGPRX4MAOB
SCHEMBL23536844 0.80 MAOB (0.61) MAPTNR4A2MAOBMAOAFFAR1
SCHEMBL27799862 0.80 FFAR1 (0.67) NR4A2MRGPRX4FFAR1FFAR4

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-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed