SCHEMBL24436688

SCHEMBL24436688

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.45
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
EP300 Q09472 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.36

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
SCHEMBL4397871 0.85 EP300 (0.47) HMGCRHTTMAOBTUBB1TP53
SCHEMBL21614404 0.82 CYP3A4 (0.46) HMGCRHTTMAOBTUBB1TP53
SCHEMBL21614371 0.80 HMGCR (0.41) HMGCRHTTMAOBTUBB1TP53
SCHEMBL21614377 0.80 ESR1 (0.42) HMGCRHTTMAOBTUBB1TP53
SCHEMBL21614373 0.80 HMGCR (0.41) HMGCRHTTMAOBTUBB1TP53
SCHEMBL24445888 0.79 MAOB (0.40) HMGCRHTTMAOBTUBB1TP53
SCHEMBL3623027 0.77 ACHE (0.48) HMGCRMAOBTUBB1TP53CYP3A4
SCHEMBL4403305 0.77 HMGCR (0.43) HMGCRHTTMAOBTUBB1CYP3A4
SCHEMBL714254 0.76 MAOB (0.46) HTTMAOBTUBB1TP53CYP3A4
SCHEMBL21614374 0.76 HMGCR (0.41) HMGCRHTTMAOBTUBB1TP53

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-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