SCHEMBL11332162

SCHEMBL11332162

CC(=O)c1cc(C)c(OCC(=O)O)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTPRB P23467 1/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ CD69 Q07108 3/20 0.42
▸ ELANE P08246 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL2059355 0.82 CSNK2A2 (0.49) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL11334052 0.82 MMP1 (0.45) HSD17B10KMT2AKDM4EMEN1ALDH1A1
SCHEMBL14203242 0.81 CREBBP (0.46) HSD17B10HPGDKMT2AKDM4ETHRA
SCHEMBL2058911 0.81 THRA (0.47) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL18323555 0.80 CD69 (0.45) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL3201351 0.79 KMT2A (0.55) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL11570516 0.79 KDM4E (0.55) HPGDMCL1KMT2APTGDR2KDM4E
SCHEMBL8240454 0.79 MCL1 (0.45) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL2059557 0.79 AGBL2 (0.46) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL14931907 0.79 MCL1 (0.45) HSD17B10HPGDPTPRBMCL1CD69

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-4244731-A APPLYING A CARBOXY DERIVATIVE OF A 2,6-DIMETHYLPHENOXY COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-13 — — US disclosed
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