SCHEMBL9861515

SCHEMBL9861515

Oc1ccc(C(F)(F)F)cc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
BCL2 P10415 1/20 0.53
BCL2L1 Q07817 1/20 0.53
ALOX5 P09917 1/20 0.47
SLC7A5 Q01650 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
IDH1 O75874 1/20 0.46
CYP2D6 P10635 2/20 0.43
KEAP1 Q14145 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL542814 0.85 MEN1 (0.53) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL11092652 0.83 CYP2D6 (0.62) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL14369337 0.83 KLF10 (0.61) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL21226998 0.79 TAAR1 (0.42) MEN1KMT2ACYP3A4BCL2BCL2L1
SCHEMBL20540623 0.79 TAS2R14 (0.41) MEN1KMT2ACYP3A4BCL2BCL2L1
SCHEMBL9861916 0.79 ALDH1A1 (0.45) MEN1KMT2ACYP3A4HPGDHSD17B10
SCHEMBL2576294 0.79 KEAP1 (0.63) BCL2BCL2L1ALOX5THRATHRB
SCHEMBL2577342 0.78 ACP3 (0.49) MEN1KMT2AKEAP1MAOBMAPT
SCHEMBL21226949 0.78 CNR2 (0.41) MEN1KMT2ACYP3A4BCL2BCL2L1
SCHEMBL13609944 0.78 ESR1 (0.56) MEN1KMT2ACYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886672-A Continuous recovery process of diaryl phenol ligand in catalyst in isopulegol preparation process 万华化学集团股份有限公司 2024-04-16 CN disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed