SCHEMBL13604313

SCHEMBL13604313

COC(=O)c1cc(OC)ccc1CCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TYK2 P29597 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43

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
SCHEMBL7562440 0.84 NPC1 (0.50) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL993441 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBABCB1LMNA
SCHEMBL2773966 0.80 KDM4E (0.54) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL27792226 0.79 KDM4E (0.53) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13469244 0.78 KDM4E (0.58) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL1345009 0.77 LRRK2 (0.56) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3230860 0.76 KDM4E (0.61) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL19844014 0.76 KDM4E (0.56) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL23292486 0.75 KDM4E (0.55) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL4730741 0.75 KDM4E (0.55) PLA2G2AALDH1A1KDM4ECYP1A2CYP2D6

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
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 — — EP disclosed
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