SCHEMBL28556972

SCHEMBL28556972

CCOOCC(C#N)NC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 9/20 0.45
SORT1 Q99523 9/20 0.45
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 1/20 0.38
GPR139 Q6DWJ6 1/20 0.36
CTSC P53634 1/20 0.36
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
CCKBR P32239 1/20 0.35
RAPGEF3 O95398 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL28554643 0.88 HPGD (0.54) HPGDGPR139RAB9ACTSVCTSL
SCHEMBL28559436 0.87 HTT (0.51) CTSCRAB9AHTTCTSB
SCHEMBL28553331 0.85 TAS1R3 (0.43) HTTCTSVCTSLCTSBCTSS
SCHEMBL28554434 0.84 CTSB (0.38) RAB9ACTSLCTSBCTSSCTSK
SCHEMBL28550625 0.84 GRN (0.46) GRNSORT1HPGDGPR139RAB9A
SCHEMBL28554447 0.81 CTSL (0.47) CTSCRAB9ACTSLCTSBCTSS
SCHEMBL28550547 0.81 TAS1R3 (0.44) CTSLCTSBCTSSCTSK
SCHEMBL28550866 0.81 NPSR1 (0.41) RAB9ARAPGEF3CTSL
SCHEMBL28549384 0.80 MAPT (0.45) HPGDRAB9AHTTCTSVCTSL
SCHEMBL28550888 0.79 ALDH1A1 (0.48) HPGDCTSLCTSBCTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778333-B Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2022-07-05 CN disclosed
CN-112724157-B Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2022-04-19 CN disclosed
CN-112851692-B Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2022-04-08 CN disclosed
CN-112851692-A Oxazolo [5,4-d ] pyrido [1,2-a ] pyrimidone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-28 CN disclosed
CN-112778333-A Tetrahydrooxazolopyridino-azoxanone derivative and application thereof 中国科学院新疆理化技术研究所 2021-05-11 CN disclosed
CN-112724157-A Dihydrooxazolo [5,4-d ] pyrrolo [1,2-a ] pyrimidin-9 (5H) -one derivatives and use thereof 中国科学院新疆理化技术研究所 2021-04-30 CN disclosed