SCHEMBL14458013

SCHEMBL14458013

O=C1CCC(c2ccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAOB P27338 11/20 0.43
APP P05067 1/20 0.43
MAOA P21397 6/20 0.43
NR4A2 P43354 1/20 0.43
DHFR P00374 1/20 0.42
KCNH2 Q12809 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14458017 0.85 AR (0.43) DDB1CRBNKCNH2
SCHEMBL13701090 0.83 KCNH2 (0.55) MAOBMAOAKCNH2RAB9A
SCHEMBL22201142 0.80 TP53 (0.51) DDB1CRBNKMT2A
SCHEMBL14458006 0.80 TP53 (0.51) DDB1CRBNKMT2A
SCHEMBL14458018 0.79 CRBN (0.40) DDB1CRBNNPC1KMT2A
SCHEMBL27928981 0.74 HTT (0.51) CRBNMAOBMAOANPC1RAB9A
SCHEMBL19134705 0.72 MAOB (0.59) EGFRMAOBAPPMAOANR4A2
SCHEMBL14458014 0.72 ESR2 (0.51)
SCHEMBL14458012 0.71 POLB (0.57) DDB1CRBNKMT2A
SCHEMBL4148437 0.71 GRIN2B (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed