SCHEMBL16155139

SCHEMBL16155139

CC1(C)COC2(C[C@H]3C[C@@H](OC(=O)c4ccccc4)C(CO)[C@H]3C2)OC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ RNASE1 P07998 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ BCHE P06276 1/20 0.36

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
SCHEMBL16072769 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077026 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL10729081 0.90 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077039 0.87 GAA (0.39) TSHRGAAKMT2AABCB1CHRM2
SCHEMBL16072779 0.87 GAA (0.39) TSHRGAAKMT2AABCB1CHRM2
SCHEMBL1584062 0.79 GAA (0.52) TSHRGAAKMT2A
SCHEMBL9687625 0.76 GAA (0.37) TSHRGAACHRM2CHRM4CHRM1
SCHEMBL16077036 0.75 BCHE (0.31) BCHE
SCHEMBL11090666 0.75 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077037 0.75 BCHE (0.31) BCHE

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
WO-2014164886-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND THEIR USE ALLERGAN, INC. (US) 2014-10-09 — — WO disclosed
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