SCHEMBL8640957

SCHEMBL8640957

CCN1CCCC1Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 2/20 0.37
MCHR2 Q969V1 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL8644129 0.89 LMNA (0.41) LTA4HLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL8640526 0.85 LMNA (0.48) LMNARECQLSMN1; SMN2HRH3
SCHEMBL8147094 0.81 ATM (0.44) KDM4ERECQLHRH3
SCHEMBL7246918 0.80 CARM1 (0.40) MCHR2MCHR1SMN1; SMN2
SCHEMBL8637775 0.77 MAOA (0.44) LTA4HKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL8639297 0.77 SCN9A (0.42) KMT2ALMNASCN9AALDH1A1SMN1; SMN2
SCHEMBL8636128 0.76 MAOB (0.56)
SCHEMBL8641764 0.76 HRH3 (0.50) LTA4HHRH3
SCHEMBL4322788 0.76 MEN1 (0.39) KMT2ASMN1; SMN2
SCHEMBL7403861 0.76 KMT2A (0.44) LTA4HKMT2ALMNAALDH1A1HRH3

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed