SCHEMBL29061261

SCHEMBL29061261

CCC(F)(C(=O)OF)c1ccc(-c2ccc(OC(F)C(F)F)cc2)cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ DGAT1 O75907 2/20 0.31
▸ ACACB O00763 5/20 0.31
▸ ACACA Q13085 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PTPN5 P54829 1/20 0.30
▸ TEK Q02763 1/20 0.30
▸ LGMN Q99538 1/20 0.30
▸ TRPV3 Q8NET8 1/20 0.30
▸ CHRNA7 P36544 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
SCHEMBL29061260 0.81 ALDH1A1 (0.37) MAPTDGAT1ACACBACACACYP3A4
SCHEMBL29061268 0.70 CYP3A4 (0.36) MAPTCYP3A4CHRNA7
SCHEMBL17099778 0.63 SCN10A (0.43) CYP3A4TEK
SCHEMBL9159912 0.63 GRM5 (0.47) MAPTPTGS2
SCHEMBL9253133 0.63 GRM5 (0.47) MAPTPTGS2
SCHEMBL9513537 0.62 RAB9A (0.41) MAPTACACBACACA
SCHEMBL17583161 0.61 ALDH1A1 (0.39) MAPTCYP3A4
SCHEMBL14330651 0.61 HPGD (0.40) MAPTDGAT1CYP3A4
SCHEMBL9154037 0.61 CYP2D6 (0.55) MAPTCYP3A4PTGS2
SCHEMBL9160877 0.61 CYP2D6 (0.48) MAPTACACBACACACYP3A4

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
CN-116675672-A New preparation method of antifungal medicine 北京康立生医药技术开发有限公司 2023-09-01 — — CN disclosed
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