SCHEMBL8634258

SCHEMBL8634258

O=C(CC1CCCC1)Oc1ccc(C=CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.57
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CA2 P00918 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 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
SCHEMBL9080436 0.76 HPGD (0.56) HPGDCA2KMT2APOLB
SCHEMBL9586021 0.76 HPGD (0.53) HPGDCA2KMT2A
SCHEMBL10423303 0.75 PARP10 (0.52) HPGD
SCHEMBL10423304 0.75 PARP10 (0.52) HPGD
SCHEMBL8634918 0.75 HPGD (0.51) HPGDCA2KMT2APOLB
SCHEMBL4105896 0.74 HPGD (0.54) HPGDPOLB
SCHEMBL8636310 0.73 HPGD (0.49) HPGDCA2KMT2APOLB
SCHEMBL20637564 0.73 HPGD (1.00) HPGD
SCHEMBL19119345 0.73 HPGD (1.00) HPGD
SCHEMBL28841579 0.72 HPGD (0.53) HPGDCA2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed