SCHEMBL11260414

SCHEMBL11260414

COC(=O)O[C@@H]1CCCC[C@H]1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A3 Q01959 1/20 0.30
MAPT P10636 1/20 0.30
SERPINE1 P05121 2/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL10918405 1.00 KDM4E (0.32) KDM4ENPSR1EPHX1CHRM2CHRM4
SCHEMBL15503230 0.89 KDM4E (0.33) KDM4ENPSR1EPHX1CHRM2CHRM4
SCHEMBL1080565 0.85 SERPINE1 (0.38) KDM4ENPSR1EPHX1MAPTSERPINE1
SCHEMBL9216168 0.81 CHRM2 (0.36) KDM4ENPSR1EPHX1CHRM2CHRM4
SCHEMBL15503284 0.79 KDM4E (0.41) KDM4ENPSR1EPHX1CHRM2CHRM4
SCHEMBL29315338 0.78 CHRM2 (0.43) KDM4ENPSR1EPHX1CHRM2CHRM4
SCHEMBL1080656 0.78 SERPINE1 (0.34) KDM4ENPSR1EPHX1SLC6A3MAPT
SCHEMBL5836544 0.77 SERPINE1 (0.32) SERPINE1
SCHEMBL6892499 0.77 SERPINE1 (0.32) SERPINE1
SCHEMBL6892502 0.77 SERPINE1 (0.32) SERPINE1

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-4332729-A CATALYZED CYCLIZATION THE DOW CHEMICAL COMPANY (US) 1982-06-01 US disclosed