SCHEMBL7364705

SCHEMBL7364705

COC(=O)c1cccc(-c2oc(=O)c3c(C)cc[nH]c2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ERN1 O75460 1/20 0.43
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ASH1L Q9NR48 1/20 0.39
IL2 P60568 1/20 0.39
CYP4F2 P78329 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
SCHEMBL7365563 0.82 CDK8 (0.46) CDK8GPR119ALDH1A1POLBMAPT
SCHEMBL9950445 0.71 CDK8 (0.59) CDK8CA12CA9CA1CA2
SCHEMBL67941 0.71 CA12 (0.68) CDK8POLBCA12CA9CA1
SCHEMBL26114637 0.70 CA12 (0.52) CDK8ALDH1A1MAPTKMT2ACA12
SCHEMBL27715902 0.69 CA12 (0.71) CDK8CA12CA9CA1CA2
SCHEMBL4406078 0.69 CA12 (0.51) CDK8GPR119ALDH1A1POLBMAPT
SCHEMBL27379231 0.69 CA12 (0.51) CDK8ALDH1A1CA12CA9CA1
SCHEMBL1745570 0.68 CA12 (0.50) CDK8ALDH1A1CA12CA9CA1
SCHEMBL1747243 0.68 ERN1 (0.63) ALDH1A1CA12CA9CA1CA2
SCHEMBL30350436 0.68 CA12 (0.60) CDK8CA12CA9CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed