SCHEMBL5311581

SCHEMBL5311581

c1ccc(COCc2ccccc2)cc1.c1ccc(COCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 1.00
▸ IDO1 P14902 1/20 0.60
▸ AGXT P21549 1/20 0.57
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA7 P43166 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ TACR1 P25103 2/20 0.50
▸ CALM1 P0DP23 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL27380 1.00 TSHR (1.00) TSHRIDO1AGXTCA1CA2
Barium SCHEMBL3798966 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9491202 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Potassium SCHEMBL586337 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Lithium SCHEMBL586148 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL10609439 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Ammonia Solution, Strong SCHEMBL8645051 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL15535487 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Hydrochloric Acid SCHEMBL11878622 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL574533 0.97 TSHR (0.94) TSHRIDO1AGXTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364184-B2 Perfume compositions GIVAUDAN SA (CH) 2022-06-21 — — US disclosed
US-20180193235-A1 PERFUME COMPOSITIONS GIVAUDAN S.A. (CH) 2018-07-12 — — US disclosed
EP-3325588-A1 PERFUME COMPOSITIONS Givaudan S.A. (CH) 2018-05-30 — — EP disclosed
WO-2017012947-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2017-01-26 — — WO disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 — — WO disclosed
CN-1196367-A Water oil emulsions containing anisole ATOCHEM NORTH AMERICA ELF (US) 1998-10-21 — — CN disclosed
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