SCHEMBL9580606

SCHEMBL9580606

CCCOC(=O)C(C)=C(C)CO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 7/20 0.37
HCAR2 Q8TDS4 1/20 0.36
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
CHRM1 P11229 2/20 0.33
ESR1 P03372 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
ATM Q13315 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL28396998 0.84 TSHR (0.39) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL10010712 0.84 TSHR (0.45) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL10010714 0.84 TSHR (0.45) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL9580522 0.82 ALDH1A1 (0.48) TSHRALDH1A1THRBGAASMN1; SMN2
SCHEMBL129272 0.79 TSHR (0.42) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL15271845 0.79 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL27929081 0.77 TSHR (0.41) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL27754652 0.77 GAA (0.44) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL1593010 0.77 HCAR2 (0.43) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL3360898 0.76 TSHR (0.39) TSHRALDH1A1HCAR2THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250183-B1 COATING POWDER Nippon Paint Co., Ltd. (JP) 1993-09-22 EP disclosed
EP-0250183-A2 Coating powder Nippon Paint Co., Ltd. (JP) 1987-12-23 EP disclosed