SCHEMBL9706431

SCHEMBL9706431

CCC(C)CCCCCOC(=O)c1ccc(OCc2ccccc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPIA P62937 1/20 0.37

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
SCHEMBL9706347 0.79 TSHR (0.43) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL10806345 0.76 HTR1A (0.51) L3MBTL1ALDH1A1MAPK1TDP1MRGPRX4
SCHEMBL7568997 0.76 TSHR (0.66) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6399703 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6405721 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6400485 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6402912 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6407768 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6401172 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6406030 0.75 ALDH1A1 (0.60) L3MBTL1TSHRALDH1A1CYP3A4MAPK1

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
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed