SCHEMBL3949405

SCHEMBL3949405

C=C1C(=O)OC(C2CCCCC2)C1CC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ KAT2A Q92830 3/20 0.37
▸ VDR P11473 8/20 0.31
▸ PKM P14618 3/20 0.30
▸ NLRP3 Q96P20 1/20 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
SCHEMBL3941375 0.77 CYP19A1 (0.43) CYP19A1PKMNLRP3
SCHEMBL3944395 0.69 KAT2A (0.44) KAT2A
SCHEMBL3947192 0.69 KAT2A (0.44) KAT2AVDR
SCHEMBL23914093 0.68 CYP19A1 (0.42) CYP19A1
SCHEMBL23914092 0.68 CYP19A1 (0.42) CYP19A1
SCHEMBL23914097 0.68 CYP19A1 (0.39) CYP19A1PKM
SCHEMBL23914323 0.68 CYP19A1 (0.39) CYP19A1PKM
SCHEMBL3950636 0.65 KAT2A (0.57) KAT2AVDR
SCHEMBL11684385 0.64 ALDH1A1 (0.33) —
SCHEMBL16438955 0.63 KMT2A (0.34) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7512309-B2 Polymer composition, plastic optical fiber, plastic optical fiber cable, and method for manufacturing plastic optical fiber MITSUBISHI RAYON CO, LTD. (JP) 2009-03-31 — — US disclosed
US-20080166091-A1 Polymer Composition, Plastic Optical Fiber, Plastic Optical Fiber Cable, and Method for Manufacturing Plastic Optical Fiber MITSUBISHI RAYON CO., LTD. (JP) 2008-07-10 — — US disclosed
CN-101087820-A Polymer composition, plastic optical fiber, plastic optical cable, and method for producing plastic optical fiber MITSUBISHI RAYON CO (JP) 2007-12-12 — — CN disclosed
EP-1834968-A1 POLYMER COMPOSITION, PLASTIC OPTICAL FIBER, PLASTIC OPTICAL FIBER CABLE AND METHOD FOR PRODUCING PLASTIC OPTICAL FIBER Mitsubishi Rayon Co., Ltd. (JP) 2007-09-19 — — EP disclosed
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