SCHEMBL11513016

SCHEMBL11513016

NCC1=CC=CCN1CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL11831221 0.83 ACE (0.36) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL385229 0.75 CA12 (0.36) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL11626909 0.66
SCHEMBL917243 0.62 LMNA (0.36) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4423508 0.58
SCHEMBL3740352 0.58 HTT (0.30)
SCHEMBL22280155 0.57 KDM4E (0.32)
SCHEMBL6887301 0.57
SCHEMBL24116747 0.57 CYP2D6 (0.40) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL28266336 0.57

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-4142061-A FOR STABILIZING COBALT CABONYL CATALYST CHEVRON RESEARCH COMPANY (US) 1979-02-27 US disclosed
US-4096191-A Hydroformylation of olefins using azoxy-dentated ligands CHEVRON RESEARCH COMPANY (US) 1978-06-20 US disclosed