SCHEMBL9813077

SCHEMBL9813077

CC(C)C(C)CCCSc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ THRB P10828 7/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TTR P02766 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ GPR84 Q9NQS5 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
SCHEMBL9550781 0.79 THRB (0.35) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9550786 0.78 HSD17B10 (0.36) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9550811 0.75 CA2 (0.41) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9551111 0.74 HSD17B10 (0.33) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9550725 0.72 THRB (0.44) THRBESR1TTRALDH1A1
SCHEMBL9550713 0.71 THRB (0.37) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9550802 0.70 HSD17B10 (0.32) ALOX15ALOX12HSD17B10CYP1A2CYP2C9
SCHEMBL9550724 0.69 THRB (0.41) THRBHSD17B10SMN1; SMN2ESR1TTR
SCHEMBL9550717 0.68 THRB (0.40) ALOX15ALOX12THRBHSD17B10CYP1A2
SCHEMBL9550790 0.68 ESR1 (0.33) ALOX15ALOX12THRBHSD17B10CYP1A2

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-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 — — US disclosed
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