SCHEMBL27489702

SCHEMBL27489702

CCC=C(C)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 3/20 0.47
F2 P00734 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL14102195 0.86 TSHR (0.47) LMNATSHRF2CES2CES1
SCHEMBL6862201 0.84 LMNA (0.50) LMNATSHRF2CES2CES1
SCHEMBL27708308 0.83 LMNA (0.46) LMNATSHRF2CES2CES1
SCHEMBL27458832 0.82 LMNA (0.46) LMNATSHRCES2CES1TDP1
SCHEMBL10900780 0.82 LMNA (0.49) LMNATSHRF2CES2CES1
SCHEMBL14360496 0.81 TSHR (0.54) LMNATSHRF2CES2CES1
SCHEMBL14360494 0.81 TSHR (0.54) LMNATSHRF2CES2CES1
SCHEMBL6551398 0.81 LMNA (0.47) LMNATSHRF2CES2CES1
SCHEMBL9358495 0.81 LMNA (0.47) LMNATSHRF2CES2CES1
SCHEMBL28261293 0.81 LMNA (0.47) LMNATSHRF2CES2CES1

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
CN-1117515-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1996-02-28 CN disclosed