SCHEMBL24436698

SCHEMBL24436698

COc1c(F)cc(F)c(F)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
TUBB1 Q9H4B7 6/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT3 P40763 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL24445893 0.82 TDP1 (0.39) TDP1MAPTCYP3A4HSD17B1HSD17B2
SCHEMBL24436687 0.82 TDP1 (0.39) TDP1MAPTCYP3A4TUBB1ALOX5
SCHEMBL6739577 0.78 TUBB1 (0.35) TDP1MAPTCYP3A4TUBB1FFAR1
SCHEMBL7380240 0.78 ERN1 (0.47)
SCHEMBL22883762 0.78 TDP1 (0.36) TDP1MAPTCYP3A4TUBB1KDM4E
SCHEMBL448336 0.78 ALDH1A1 (0.39) TDP1MAPTCYP3A4TUBB1KDM4E
SCHEMBL28113807 0.77 HSD17B1 (0.43) TDP1MAPTHSD17B1HSD17B2TUBB1
SCHEMBL27879635 0.77 MAPT (0.46) TDP1MAPTHSD17B1HSD17B2NFE2L2
SCHEMBL24436821 0.75 PREP (0.41) MAPTCYP3A4KDM4EGAA
SCHEMBL28147538 0.75 KDM4E (0.43) TDP1MAPTHSD17B1HSD17B2KDM4E

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