SCHEMBL3941375

SCHEMBL3941375

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.43
▸ PKM P14618 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ TP53 P04637 4/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ NLRP3 Q96P20 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ NFKB1 P19838 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ STAT6 P42226 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THPO P40225 1/20 0.31

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
SCHEMBL3949405 0.77 CYP19A1 (0.40) CYP19A1PKMNLRP3
SCHEMBL23914092 0.72 CYP19A1 (0.42) CYP19A1LMNATP53CYP3A4KMT2A
SCHEMBL23914093 0.72 CYP19A1 (0.42) CYP19A1LMNATP53CYP3A4KMT2A
SCHEMBL23914097 0.71 CYP19A1 (0.39) CYP19A1PKMKMT2AALDH1A1MAPT
SCHEMBL15256958 0.71 LMNA (0.43) PKMLMNACYP3A4KMT2AALDH1A1
SCHEMBL23914323 0.71 CYP19A1 (0.39) CYP19A1PKMKMT2AALDH1A1MAPT
SCHEMBL16438955 0.71 KMT2A (0.34) CYP19A1KMT2AMAPT
SCHEMBL3201514 0.67 KMT2A (0.34) KMT2AMAPTMEN1
SCHEMBL2377727 0.66 — —
SCHEMBL17147743 0.66 CYP19A1 (0.56) CYP19A1PKMLMNATP53CYP3A4

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
Send feedback