SCHEMBL4717023

SCHEMBL4717023

Brc1ccc(CCNCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
TAAR1 Q96RJ0 1/20 0.42
P2RX7 Q99572 2/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4716332 0.80 MEN1 (0.52) EPHX2ALDH1A1MEN1RAD52KMT2A
Hydrochloric Acid SCHEMBL1677979 0.74 GRIN2D (0.52) EPHX2P2RX7CHRM2CHRM1CHRM3
SCHEMBL1677866 0.74 P2RX7 (0.47) EPHX2P2RX7CHRM2CHRM1CHRM3
SCHEMBL1678084 0.72 P2RX7 (0.46) EPHX2P2RX7CHRM2CHRM1CHRM3
SCHEMBL1548570 0.71 HDAC6 (0.51) EPHX2TAAR1P2RX7HDAC6ALDH1A1
SCHEMBL4715282 0.70 EPHX2 (0.64) EPHX2P2RX7CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL1677932 0.69 EPHX2 (0.62) EPHX2P2RX7CHRM2CHRM1CHRM3
SCHEMBL6793360 0.68 TAAR1 (0.52) TAAR1CHRM1CA12CA1CA2
SCHEMBL19173632 0.68 CHRM2 (0.53) EPHX2P2RX7CHRM2CHRM1CHRM3
SCHEMBL1677910 0.68 MEN1 (0.61) EPHX2CHRM2CHRM1CHRM3ALDH1A1

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
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed