SCHEMBL4534910

SCHEMBL4534910

O=C(CC1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
P2RX7 Q99572 6/20 0.43
CNR1 P21554 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42

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
SCHEMBL8060069 0.91 EPHX2 (0.42) EPHX2ALDH1A1HRH3P2RX7CYP2C9
SCHEMBL4533493 0.88 ALDH1A1 (0.48) EPHX2ALDH1A1LMNAGAAHTT
SCHEMBL4540919 0.88 EPHX2 (0.46) EPHX2ALDH1A1HRH3P2RX7CYP2C9
SCHEMBL4537295 0.85 ALDH1A1 (0.49) EPHX2ALDH1A1LMNAGAAHTT
SCHEMBL8067140 0.85 EPHX2 (0.44) EPHX2ALDH1A1HRH3P2RX7CYP2C9
SCHEMBL4542900 0.83 EPHX2 (0.47) EPHX2ALDH1A1HRH3P2RX7CYP2C9
SCHEMBL4542529 0.82 EPHX2 (0.59) EPHX2CYP2C9CYP2J2
SCHEMBL4535274 0.81 EPHX2 (0.67) EPHX2ALDH1A1LMNAGAAHTT
SCHEMBL4542284 0.81 EPHX2 (0.58) EPHX2CYP2C9CYP2J2
SCHEMBL4537463 0.80 EPHX2 (0.49) EPHX2ALDH1A1HRH3P2RX7CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed