SCHEMBL11736151

SCHEMBL11736151

N=C(NC(=O)NC1CCCC1)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.64
EPHX2 P34913 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP3A4 P08684 1/20 0.64
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.52
PPIA P62937 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL21573232 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557135 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557123 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18760506 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557122 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557134 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18760502 0.84 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3070836 0.84 EPHX1 (0.50) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11733291 0.82 EPHX1 (0.50) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3083821 0.82 EPHX1 (0.50) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed