SCHEMBL14802207

SCHEMBL14802207

CCCCCCCCOc1cnc(-c2ccc(OC(=O)OC)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.52
▸ NPC1 O15118 7/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NFKB1 P19838 3/20 0.51
▸ NFKB2 Q00653 3/20 0.51
▸ RELA Q04206 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ACACB O00763 1/20 0.48

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
SCHEMBL9234397 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9238194 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL10510645 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL10720393 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9232813 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9239428 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL10701525 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9357676 0.85 RARB (0.48) RARBNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL6902978 0.85 RARB (0.61) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9840305 0.85 RARB (0.52) RARBNPC1SMN1; SMN2RAB9AKDM4E

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
US-8405799-B2 Polymer-stabilized liquid crystal composition, liquid crystal display device, method for producing liquid crystal display device DIC CORPORATION (JP) 2013-03-26 — — US disclosed
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