SCHEMBL4781663

SCHEMBL4781663

CCN1C(=O)C(C)(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
STING1 Q86WV6 1/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.38
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
RARA P10276 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MYC P01106 2/20 0.38
HCAR3 P49019 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MARK3 P27448 1/20 0.37

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
SCHEMBL31411806 0.83 ELANE (0.55) CPT2CPT1ACPT1BSTING1TP53
SCHEMBL9379594 0.82 DRD2 (0.55) CPT2CPT1ACPT1BSTING1TP53
SCHEMBL1238062 0.82 POLB (0.47) POLBLMNAALDH1A1
Hydrochloric Acid SCHEMBL9209496 0.82 STING1 (0.37) CPT2CPT1ACPT1BSTING1TP53
SCHEMBL31411563 0.81 PARK7 (0.54) CPT2CPT1ACPT1BTP53CYP3A4
SCHEMBL2242021 0.80 CPT1A (0.48) CPT2CPT1ACPT1BSTING1LMNA
SCHEMBL22043973 0.80 STING1 (0.50) POLBCPT2CPT1ACPT1BSTING1
SCHEMBL22043971 0.80 STING1 (0.53) POLBCPT2CPT1ACPT1BSTING1
SCHEMBL9142318 0.80 LMNA (0.46) CPT2CPT1ACPT1BLMNACYP26A1
SCHEMBL25943106 0.79 STING1 (0.62) POLBCPT2CPT1ACPT1BSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017465-A1 BICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 WO claimed
WO-2008017465-A1 BICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 WO disclosed
US-5414088-A Anticoagluants BOEHRINGER MANNHEIM GMBH (DE) 1995-05-09 US disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed