SCHEMBL31433296

SCHEMBL31433296

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP19A1 P11511 5/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ACP3 P15309 2/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 2/20 0.33
SLC6A9 P48067 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CPA1 P15085 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
SCHEMBL29832067 0.88 MEN1 (0.40) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL18918251 0.79 HTR2A (0.37) SLC6A3
SCHEMBL10731618 0.79 EPHX1 (0.34) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL9854300 0.79 EPHX1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1EPHX1
SCHEMBL9854342 0.77 EPHX1 (0.35) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL10489340 0.75 CYP1A2 (0.56) CPA1
SCHEMBL9220176 0.75 TSHR (0.35)
SCHEMBL9225482 0.73 TSHR (0.37)
SCHEMBL146771 0.72 MTNR1A (0.55) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL29173885 0.72 CPA1 (0.35) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1

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-119285424-A Method for synthesizing alpha-aryl ketone compound from aryl allylic amide 福州大学 2025-01-10 CN disclosed