SCHEMBL9615168

SCHEMBL9615168

COCCOCc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.49
▸ CALM1 P0DP23 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11773463 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11777974 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11778293 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11778312 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11780707 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11777501 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11774948 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11774970 0.89 CYP3A4 (0.52) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1
SCHEMBL11775701 0.86 CYP3A4 (0.55) CYP3A4HSD17B10CALM1TAAR1SLC6A4
SCHEMBL3856258 0.85 CYP3A4 (0.58) CYP3A4HSD17B10CALM1SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58110504-A — — None — — JP disclosed
JP-4117306-A — — None — — JP disclosed
JP-H04117306-A ACARID CONTROLLER SUMITOMO CHEM CO LTD 1992-04-17 — — JP disclosed
JP-S58110504-A INSECTICIDE COMPOSITION SUMITOMO CHEM CO LTD 1983-07-01 — — JP disclosed
US-3941884-A INSECTICIDE CHEVRON RESEARCH COMPANY (US) 1976-03-02 — — US disclosed
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