SCHEMBL11248645

SCHEMBL11248645

Cc1ccc(C)c(-n2nc(-c3ccccc3)c(CC(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PTGDR2 Q9Y5Y4 14/20 0.51
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIM1 P11309 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL11246732 0.83 PTGDR2 (0.52) PTGDR2LMNAPOLBALDH1A1MAPT
SCHEMBL11249311 0.82 RPA1 (0.51) CA1CA2PTGDR2LMNAPOLB
SCHEMBL11249550 0.82 CA1 (0.58) CA1CA2PTGDR2
Trifezolac SCHEMBL11182574 0.78 KDM4E (0.51) CA1CA2PTGDR2LMNAALDH1A1
SCHEMBL11242908 0.78 PTGDR2 (0.50) PTGDR2
SCHEMBL11250252 0.78 CNR1 (0.51) PTGDR2
SCHEMBL11255798 0.76 MARS1 (0.50) PTGDR2
SCHEMBL11245710 0.75 PTGDR2 (0.51) PTGDR2POLBALDH1A1KDM4E
SCHEMBL11254556 0.73 PTGDR2 (0.47) PTGDR2ALDH1A1KMT2AKDM4E
SCHEMBL11254211 0.73 CA1 (0.53) CA1CA2PTGDR2LMNAALDH1A1

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-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed