SCHEMBL2178136

SCHEMBL2178136

CCCCCCCC(=O)c1ccc(OC(=O)OCCCC)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.44
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
STS P08842 4/20 0.43
ELANE P08246 1/20 0.41

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
SCHEMBL2175499 0.98 THRA (0.46) HSD17B3THRATHRB
SCHEMBL2177789 0.98 THRA (0.46) HSD17B3THRATHRB
SCHEMBL2176029 0.98 THRA (0.46) HSD17B3THRATHRB
SCHEMBL2176449 0.98 THRA (0.46) HSD17B3THRATHRB
SCHEMBL2175250 0.95 HSD17B3 (0.44) HSD17B3THRATHRBSTS
SCHEMBL2175379 0.92 HSD17B3 (0.45) HSD17B3THRATHRBSTS
SCHEMBL2174220 0.88 HSD17B3 (0.46) HSD17B3THRATHRBSTS
SCHEMBL2177454 0.88 HSD17B3 (0.41) HSD17B3THRATHRBSTS
SCHEMBL2175421 0.88 THRA (0.41) HSD17B3THRATHRBSTS
SCHEMBL2177812 0.85 ALOX15 (0.48) HSD17B3THRATHRBSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519218-B1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2015-05-27 EP claimed
EP-2519218-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2012-11-07 EP claimed
WO-2011080469-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-07 WO claimed
EP-2519218-B1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2015-05-27 EP disclosed
EP-2519218-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2012-11-07 EP disclosed
WO-2011080469-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-07 WO disclosed