SCHEMBL20103714

SCHEMBL20103714

C=C(C)C(C)Cc1ccnc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.51
▸ LOX P28300 1/20 0.47
▸ LOXL3 P58215 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ EPHX1 P07099 1/20 0.36
▸ SMARCA2 P51531 6/20 0.35
▸ SMARCA4 P51532 5/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ NR3C2 P08235 2/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PNMT P11086 2/20 0.31
▸ GHSR Q92847 1/20 0.30
▸ TRPA1 O75762 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
SCHEMBL10159790 0.79 RECQL (0.57) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL24974311 0.75 RECQL (0.52) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL27731807 0.72 RECQL (0.62) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL1437084 0.72 LOXL2 (0.57) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL7270108 0.71 HSD17B10 (0.55) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL29556838 0.71 HSD17B10 (0.55) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL5285356 0.71 HSD17B10 (0.55) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL30969437 0.69 RECQL (0.53) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL1886874 0.69 RECQL (0.58) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL2092329 0.69 — —

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
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — WO disclosed
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