SCHEMBL9512181

SCHEMBL9512181

c1cc2c(c(OCCOC3CCCCO3)c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 6/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
HTR7 P34969 3/20 0.39
S1PR5 Q9H228 2/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
HTR6 P50406 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SSTR4 P31391 1/20 0.38
MCL1 Q07820 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL8186210 0.83 HRH3 (0.47) KDM4CMEN1KMT2AS1PR5DRD2
SCHEMBL8188555 0.83 HRH3 (0.47) KDM4CMEN1KMT2AL3MBTL1S1PR5
SCHEMBL27248291 0.81 BCL2L1 (0.39) RXRARXRBRXRGMRGPRX4DRD2
SCHEMBL9719997 0.80 RXRA (0.55) RXRARXRBRXRGMRGPRX4HTR7
SCHEMBL1345450 0.77 KDM4C (0.49) KDM4CMEN1KMT2AL3MBTL1HTR7
SCHEMBL6542294 0.77 S1PR5 (0.56) RXRARXRBRXRGMRGPRX4HTR7
SCHEMBL12510434 0.76 MEN1 (0.49) KDM4CMEN1KMT2AL3MBTL1HTR1D
SCHEMBL31091152 0.76 KDM4C (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL871773 0.76 KMT2A (0.55) KDM4CMEN1KMT2AL3MBTL1
SCHEMBL17675580 0.76 L3MBTL1 (0.45) KDM4CMEN1KMT2AL3MBTL1NPC1

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
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed