SCHEMBL19139145

SCHEMBL19139145

CCC(C)(CC)c1c(O)c(O)c(C(C)(CC)CC)c2[nH]ccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL19139124 0.83 — —
SCHEMBL22703061 0.78 CA2 (0.31) —
SCHEMBL4419258 0.63 CCR8 (0.46) —
SCHEMBL4418773 0.63 CCR8 (0.40) —
SCHEMBL13930943 0.60 AHR (0.44) —
SCHEMBL14554209 0.60 AHR (0.44) —
SCHEMBL15489657 0.59 AURKA (0.37) —
SCHEMBL10917116 0.59 ESR1 (0.38) ESR1ESR2
SCHEMBL29415604 0.58 ALDH1A1 (0.39) ESR1ESR2
SCHEMBL30954324 0.58 ALDH1A1 (0.39) ESR1ESR2

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
US-9711802-B2 Preparing method of alloy catalyst using polydopamine coating and alloy catalyst thereby INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2017-07-18 — — US disclosed
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