SCHEMBL19368129

SCHEMBL19368129

CCN(CCC(C)O)CC(C)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL20814123 0.87 KDM4E (0.35) TSHRKDM4EKMT2AATMRECQL
SCHEMBL11415551 0.87 TSHR (0.40) TSHRPLA2G1BPLA2G2AKDM4EKMT2A
SCHEMBL1230110 0.87 TSHR (0.40) TSHRPLA2G1BPLA2G2A
Bromide SCHEMBL28878835 0.85 TSHR (0.38) TSHRPLA2G1BPLA2G2A
Hydroxyamine SCHEMBL1454547 0.85 TSHR (0.38) TSHRPLA2G1BPLA2G2A
SCHEMBL15833657 0.83 TSHR (0.36) TSHRPLA2G1BPLA2G2AKDM4EKMT2A
SCHEMBL685434 0.83 KDM4E (0.33) TSHRKDM4ERECQL
SCHEMBL21531904 0.82 TSHR (0.32) TSHRKDM4E
SCHEMBL9160 0.82
SCHEMBL19368375 0.82 TSHR (0.44) TSHRPLA2G1BPLA2G2AKDM4EKMT2A

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
EP-3219739-A1 METHOD FOR PREPARING POLYURETHANE AND/OR POLYISOCYANURATE FOAMS FROM OXAZOLIDINE AND CASHEW NUT OIL Codem Picardie Construction Durable et Eco Materiaux Picardie (FR) 2017-09-20 EP disclosed