SCHEMBL9706347

SCHEMBL9706347

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL10184936 0.81 TSHR (0.58) TSHRALDH1A1LMNAKDM4EKDM4A
SCHEMBL9437154 0.80 POLB (0.45) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL9706431 0.79 L3MBTL1 (0.45) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL7568997 0.78 TSHR (0.66) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL27571636 0.76 ALDH1A1 (0.75) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL9808837 0.76 POLB (0.46) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6868825 0.75 TSHR (0.57) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6400485 0.75 ALDH1A1 (0.60) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL6405721 0.75 ALDH1A1 (0.60) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL6407768 0.75 ALDH1A1 (0.60) TSHRALDH1A1LMNAKDM4ETP53

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