SCHEMBL9568602

SCHEMBL9568602

C=C(C=O)OCCCCCCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
DNM1 Q05193 4/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9825082 0.76 TSHR (0.52) TSHRALDH1A1CYP3A4ACHENAAA
SCHEMBL10955287 0.74 TSHR (0.70) TSHRALDH1A1DNM1CYP3A4GAA
SCHEMBL15174397 0.74 TSHR (0.65) TSHRALDH1A1DNM1GAACHRM2
SCHEMBL11785615 0.74 TSHR (0.70) TSHRALDH1A1DNM1CYP3A4GAA
SCHEMBL499541 0.74 TSHR (0.70) TSHRALDH1A1DNM1CYP3A4GAA
SCHEMBL110935 0.74 TSHR (0.65) TSHRALDH1A1DNM1GAACHRM2
SCHEMBL15174499 0.74 TSHR (0.65) TSHRALDH1A1DNM1GAACHRM2
SCHEMBL15174643 0.74 TSHR (0.65) TSHRALDH1A1DNM1GAACHRM2
SCHEMBL11785305 0.74 TSHR (0.65) TSHRALDH1A1DNM1GAACHRM2
SCHEMBL108310 0.74 TSHR (0.70) TSHRALDH1A1DNM1CYP3A4GAA

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-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed