SCHEMBL11001241

SCHEMBL11001241

CC(O)Oc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 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
SCHEMBL29388428 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL826368 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL3645535 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL5281969 0.79 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL20995459 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL23701489 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL2307870 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL4632146 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL12846287 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28032045 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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-4496440-A TO ALDEHYDE OR ACID GROUPS THE DOW CHEMICAL COMPANY (US) 1985-01-29 US disclosed
US-4180395-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1979-12-25 US disclosed