SCHEMBL8949068

SCHEMBL8949068

CCOC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(C(=N)NC(=O)OC(C)OC(C)=O)cc3)nn(CC(=O)N3CCOCC3)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
CNR2 P34972 5/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9571678 0.87 CNR2 (0.40) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL8949028 0.87 HPGD (0.38) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL8948967 0.86 POLB (0.47) POLBRXFP1KMT2AHPGDTP53
SCHEMBL8949249 0.80 CNR2 (0.41) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL8949281 0.78 CNR2 (0.40) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL8949199 0.76 ITGB3 (0.43) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL8949217 0.76 CNR2 (0.42) HPGDTP53CNR2CNR1ALDH1A1
Hydrochloric Acid SCHEMBL8949111 0.76 ITGB3 (0.43) POLBHPGDCNR2CNR1ALDH1A1
SCHEMBL9260471 0.75 CNR2 (0.41) POLBHPGDCNR2CNR1
SCHEMBL8948977 0.73 FAAH (0.41) KMT2ACNR2CNR1MEN1

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed