SCHEMBL8769035

SCHEMBL8769035

CC[CH]OC(CC)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8769501 0.90 TSHR (0.32) TSHR
SCHEMBL839373 0.84 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9481672 0.81 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL315270 0.79 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8775768 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16024 0.73
SCHEMBL11495972 0.71
SCHEMBL202380 0.71 ALDH1A1 (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27804118 0.71 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2779955 0.70

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
EP-0548715-B1 Disperse dye mixtures DYSTAR JAPAN LTD (JP) 1997-07-23 EP disclosed
US-5494493-A DYEING POLYAMIDE AND POLYESTER FIBERS DYSTAR JAPAN LTD. (JP) 1996-02-27 US disclosed
EP-0659841-A2 Disperse dye mixture DyStar Japan Ltd. (JP) 1995-06-28 EP disclosed
US-5332404-A Monoazo dyes and fibers with blends HOECHST MITSUBISHI KASEI CO., LTD. (JP) 1994-07-26 US disclosed
EP-0548715-A1 Disperse dye mixtures DyStar Japan Ltd. (JP) 1993-06-30 EP disclosed