SCHEMBL19789828

SCHEMBL19789828

C=CC(O)Oc1ccc2ccsc2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
CYP2A6 P11509 1/20 0.30
CA12 O43570 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL67934 0.78 MRGPRX4 (0.46) MRGPRX4FFAR1PPARDCYP2A6CA12
SCHEMBL827314 0.75 PARP10 (0.44) MRGPRX4CA12CA2
SCHEMBL20998363 0.72 THRB (0.42) CA12
SCHEMBL3789636 0.70 MRGPRX4 (0.42) MRGPRX4FFAR1PPARDCA12CA2
SCHEMBL15495650 0.69 CA2 (0.52) MRGPRX4CA12CA2
SCHEMBL155194 0.69 CYP1A2 (0.48) MRGPRX4CYP2A6CA12CA2
SCHEMBL17256151 0.69 CYP2A6 (0.46) MRGPRX4CYP2A6
SCHEMBL14609319 0.69 MRGPRX4 (0.42) MRGPRX4FFAR1PPARDCYP2A6CA12
SCHEMBL31053115 0.69 CYP1A2 (0.48) MRGPRX4CYP2A6CA12CA2
SCHEMBL18522768 0.68 THRB (0.39) CA12

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-1964893-B1 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2018-01-24 EP disclosed