SCHEMBL9542872

SCHEMBL9542872

C=CCC(CC=O)OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
TSHR P16473 3/20 0.35
LPAR2 Q9HBW0 1/20 0.34
TLR2 O60603 2/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL1781072 0.91 DNM1 (0.50) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL2623219 0.89 DNM1 (0.53) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL10071554 0.89 DNM1 (0.53) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL10071553 0.89 DNM1 (0.53) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL2623217 0.89 DNM1 (0.53) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL1776900 0.85 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL9344056 0.85 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL12276381 0.83 DNM1 (0.47) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL14325097 0.81 DNM1 (0.50) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL10440806 0.81 DNM1 (0.46) DNM1ALDH1A1CNR1CNR2LPAR1

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
WO-1993012187-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed