SCHEMBL28607286

SCHEMBL28607286

CCOC(=O)C(C)C1CCC(Oc2ccnc(C)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.40
IDO1 P14902 4/20 0.38
AR P10275 4/20 0.37
KMO O15229 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL29524880 1.00 ACACB (0.40) ACACBIDO1ARKMOGPR119
SCHEMBL17730020 0.88 IDO1 (0.42) ACACBIDO1ARKMOGPR119
SCHEMBL17730021 0.88 IDO1 (0.42) ACACBIDO1ARKMOGPR119
SCHEMBL8519672 0.83 IDO1 (0.42) ACACBIDO1ARKMO
SCHEMBL17729261 0.82 AR (0.53) IDO1AR
SCHEMBL17729259 0.82 AR (0.53) IDO1AR
SCHEMBL17729155 0.82 AR (0.40) IDO1AR
SCHEMBL17729153 0.82 AR (0.40) IDO1AR
SCHEMBL17731186 0.81 IDO1 (0.51) IDO1
SCHEMBL20852713 0.81 IDO1 (0.51) IDO1

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-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed