SCHEMBL11059307

SCHEMBL11059307

COC(=O)C1C(=O)C(C)C(=O)C(C)C1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DNTT P04053 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL11058710 0.71 ALDH1A1 (0.41) CYP1A2HIF1AALDH1A1DNTTKMT2A
SCHEMBL11064654 0.69 CYP1A2 (0.35) CYP1A2HIF1AALDH1A1DNTTBRD4
SCHEMBL11061469 0.69 CYP1A2 (0.38) CYP1A2HIF1AALDH1A1
SCHEMBL1577521 0.69 ALDH1A1 (0.51) CYP1A2HIF1AALDH1A1KMT2ABRD4
SCHEMBL11359734 0.69 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1DNTTKMT2A
SCHEMBL11359745 0.69 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1DNTTKMT2A
SCHEMBL9729217 0.69 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1DNTTKMT2A
SCHEMBL11062857 0.67 DNTT (0.38) CYP1A2HIF1AALDH1A1DNTT
SCHEMBL11065968 0.67 CYP1A2 (0.36) CYP1A2HIF1AALDH1A1DNTTKMT2A
SCHEMBL17199517 0.67 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1DNTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432378-A ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-02-21 US disclosed
US-4326996-A FOR PERFUMES FRITZSCHE DODGE & OLCOTT INC. (US) 1982-04-27 US disclosed
US-4281204-A ALKYLATION, DECARBOXYLATION TO CYCLIZE FRITZSCHE DODGE & OLCOTT INC. (US) 1981-07-28 US disclosed