SCHEMBL7801110

SCHEMBL7801110

OCCCCCCCCCCNC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
CXCR4 P61073 7/20 0.46
CXCL12 P48061 1/20 0.46
HRH4 Q9H3N8 6/20 0.45
HRH3 Q9Y5N1 6/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL10776080 1.00 EPHX1 (0.58) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL9950898 0.98 EPHX1 (0.55) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL9949582 0.98 EPHX1 (0.55) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL4397999 0.98 EPHX1 (0.55) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL5217162 0.96 EPHX1 (0.52) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL3537998 0.91 CXCR4 (0.49) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL9950204 0.91 CXCR4 (0.49) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL1548264 0.91 CXCR4 (0.49) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL9950170 0.91 EPHX1 (0.47) EPHX1CXCR4CXCL12HRH4HRH3
SCHEMBL3541152 0.89 CXCR4 (0.46) EPHX1CXCR4CXCL12HRH4HRH3

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
EP-0791558-B1 Silica/zeolite composite materials in spherical form and process for their preparation ENICHEM SPA (IT) 2001-12-05 EP claimed