SCHEMBL9736173

SCHEMBL9736173

COCC1(C)C=C(Oc2ccc(=O)[nH]n2)c2cc(C#N)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ABCB1 P08183 5/20 0.32
ALDH1A1 P00352 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8090676 0.86 PDE4A (0.35) LMNAKDM4ENPC1RAB9AABCB1
SCHEMBL9735503 0.82 ALOX5 (0.35) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL9735525 0.80 KDM4E (0.33) LMNAKDM4ENPC1RAB9AABCB1
SCHEMBL9735734 0.78 MALT1 (0.35) LMNAKDM4EABCB1PDE4APDE4B
SCHEMBL9733219 0.74 LMNA (0.32) LMNAKDM4ENPC1RAB9AABCB1
SCHEMBL9372031 0.73 KDM4E (0.33) LMNAKDM4ENPC1RAB9AABCB1
SCHEMBL9735910 0.71 ABCC9 (0.42) LMNAKDM4EABCB1
SCHEMBL9737765 0.70 ABCB1 (0.38) KDM4EABCB1
SCHEMBL9194883 0.68 PDE4A (0.36) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL9735603 0.67 PDE4A (0.44) LMNAABCB1PDE4APDE4BPDE4C

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed