SCHEMBL24436686

SCHEMBL24436686

COc1cc(F)c(O)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
STAT3 P40763 2/20 0.45
NFE2L2 Q16236 2/20 0.45
PTGES O14684 1/20 0.45
PTGS1 P23219 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TUBB1 Q9H4B7 2/20 0.40
PTGS2 P35354 2/20 0.39
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL24436695 0.82 PTGS2 (0.44) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL24436694 0.82 TUBB1 (0.43) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL25367240 0.81 ALOX5 (0.41) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL31507904 0.81 ALOX5 (0.42) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL8093719 0.78 TUBB1 (0.44) ALOX5STAT3NFE2L2PTGESPTGS1
Bromide SCHEMBL29739052 0.76 TUBB1 (0.42) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL24436820 0.75 CYP4F2 (0.45) ALOX5STAT3NFE2L2PTGS1NFKB1
SCHEMBL11160603 0.74 ACHE (0.41) TUBB1PTGS2MAPTCYP3A4LMNA
SCHEMBL20149289 0.74 MAPT (0.39) PTGS1TUBB1MAPTCYP3A4LMNA
SCHEMBL28977384 0.74 TUBB1 (0.39) ALOX5STAT3NFE2L2PTGESPTGS1

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-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed