SCHEMBL11248876

SCHEMBL11248876

COc1cccc(-c2nn(-c3ccccc3)c(-c3cccc(OC)c3)c2CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
SLC16A3 O15427 3/20 0.51
SLC16A1 P53985 3/20 0.51
MCTS1 Q9ULC4 1/20 0.51
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL11248919 0.86 PTGDR2 (0.50) LMNANPSR1ALDH1A1KMT2A
SCHEMBL11251973 0.85 RPA1 (0.50) TP53LMNAMAPK1TSHRHSD17B10
Trifezolac SCHEMBL11182574 0.81 KDM4E (0.51) TP53LMNAMAPK1TSHRHSD17B10
SCHEMBL11249311 0.78 RPA1 (0.51) TP53LMNAALDH1A1KMT2APOLB
SCHEMBL11254556 0.76 PTGDR2 (0.47) ALDH1A1KMT2ARECQL
SCHEMBL11254636 0.76 BCL2 (0.48) TP53LMNAMAPK1TSHRHSD17B10
SCHEMBL11240983 0.76 KMT2A (0.52) TP53LMNAMAPK1TSHRHSD17B10
SCHEMBL11246732 0.76 PTGDR2 (0.52) TP53LMNAMAPK1TSHRHSD17B10
SCHEMBL11249520 0.75 PTGDR2 (0.44) ALDH1A1KMT2APOLB
SCHEMBL1195159 0.75 CYP2C9 (0.62) TSHRALDH1A1KMT2APOLB

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 4 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 claimed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US claimed
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