SCHEMBL25429720

SCHEMBL25429720

O=c1cc[nH]c2cc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.49
▸ SCN8A Q9UQD0 7/20 0.39
▸ SCN10A Q9Y5Y9 7/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.37
▸ RHEB Q15382 1/20 0.36
▸ AR P10275 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL25429394 0.84 HSD17B10 (0.52) HSD17B10TRPV1
SCHEMBL25952224 0.84 HSD17B10 (0.39) HSD17B10TRPV1ALDH1A1BRD4TNKS2
SCHEMBL25427626 0.83 HSD17B10 (0.51) HSD17B10TRPV1SCN8ASCN10AALDH1A1
SCHEMBL25955024 0.80 TRPV1 (0.49) TRPV1BRD4TNKS2ARSCN9A
SCHEMBL25430647 0.78 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1RHEBEPHX2
SCHEMBL25429117 0.78 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1EPHX2
SCHEMBL25429629 0.77 TRPV1 (0.46) TRPV1BRD4ARSCN9ASCN5A
SCHEMBL25430366 0.77 TTBK1 (0.42) HSD17B10SCN8ASCN10ABRD4SCN9A
SCHEMBL25429893 0.77 HSD17B10 (0.54) HSD17B10TRPV1ALDH1A1
SCHEMBL9400251 0.73 HSD17B10 (1.00) HSD17B10ALDH1A1

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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