SCHEMBL23655801

SCHEMBL23655801

CCC1CC2CC(C)C(Nc3ccccc3)C(C1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.38
CXCR3 P49682 1/20 0.35
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL25728857 0.75 EPHX2 (0.34) EPHX2
SCHEMBL5672302 0.74 EPHX2 (0.56) EPHX2CXCR3HSD11B1ALDH1A1HTT
SCHEMBL22072070 0.68 KDM4E (0.35) EPHX2
SCHEMBL21393268 0.65 EPHX2 (0.39) EPHX2HSD11B1ALDH1A1HSD17B10
SCHEMBL12425775 0.63 CARM1 (0.49) ALDH1A1KMT2AGFER
SCHEMBL17980366 0.63 FUCA1 (0.41) ALDH1A1HSD17B10KMT2AGFER
SCHEMBL11152179 0.62 EPHX2 (0.54) EPHX2CXCR3HSD11B1ALDH1A1HTT
SCHEMBL25740894 0.62 FFAR4 (0.42) EPHX2ALDH1A1KMT2AGFER
SCHEMBL25740893 0.62 FFAR4 (0.42) EPHX2ALDH1A1KMT2AGFER
Hydrochloric Acid SCHEMBL11156284 0.61 EPHX2 (0.53) EPHX2CXCR3HSD11B1ALDH1A1HTT

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-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed