SCHEMBL9504616

SCHEMBL9504616

CCCC[Si](OCCI)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
SOAT1 P35610 1/20 0.33
FGFR1 P11362 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PTGS2 P35354 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
TSHR P16473 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
ESR1 P03372 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
ADRB2 P07550 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL3481385 0.88 LTA4H (0.39) LTA4HSOAT1CYP1A2CYP2C9CYP2C19
SCHEMBL11265902 0.85 SOAT1 (0.42) LTA4HSOAT1TSHRMLNRNR1I2
SCHEMBL706314 0.84 LTA4H (0.43) LTA4HSOAT1FGFR1CYP1A2CYP2C9
SCHEMBL707442 0.84 LTA4H (0.43) LTA4HSOAT1FGFR1CYP1A2CYP2C9
SCHEMBL704098 0.82 LTA4H (0.36) LTA4HSOAT1CYP1A2CYP2C9CYP2C19
SCHEMBL704016 0.82 LTA4H (0.44) LTA4HSOAT1FGFR1CYP1A2CYP2C9
SCHEMBL707297 0.82 LTA4H (0.36) LTA4HSOAT1CYP1A2CYP2C9CYP2C19
SCHEMBL3481751 0.82 LTA4H (0.36) LTA4HSOAT1PTGS2TSHR
SCHEMBL4590392 0.82 LTA4H (0.35) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL8479296 0.82 LTA4H (0.35) LTA4HSOAT1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
WO-2022060583-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2022-03-24 WO disclosed
EP-0550566-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS (US) 1993-07-14 EP disclosed
WO-1992005153-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1992-04-02 WO disclosed