SCHEMBL8636310

SCHEMBL8636310

O=C(CC1CCCC1)Oc1ccc(CCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.42
CYP4A11 Q02928 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 3/20 0.40
LTA4H P09960 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL8634918 0.91 HPGD (0.51) HPGDPPARAALDH1A1KMT2ACA2
SCHEMBL28841579 0.79 HPGD (0.53) HPGDALDH1A1KMT2ACA2EPHX2
SCHEMBL9080436 0.77 HPGD (0.56) HPGDALDH1A1KMT2ACA2EPHX2
SCHEMBL9586021 0.77 HPGD (0.53) HPGDALDH1A1KMT2ACA2EPHX2
SCHEMBL4105896 0.75 HPGD (0.54) HPGDALDH1A1EPHX2POLB
SCHEMBL19309189 0.75 PARP10 (0.54) HPGDEPHX2LTA4H
SCHEMBL8639284 0.74 F2 (0.41) HPGDCA2EPHX2F2
SCHEMBL8634258 0.73 HPGD (0.57) HPGDKMT2ACA2POLB
SCHEMBL8385146 0.73 BCL9 (0.53) PPARAALDH1A1KMT2ACYP4A11EPHX2
SCHEMBL9336422 0.73 HPGD (0.52) HPGDALDH1A1CA2EPHX2POLB

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