Ethane

Ethane

SCHEMBL8533302

CC.Cc1cc(C)c(C(=O)[P](=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
DAO P14920 1/20 0.36
EPHX2 P34913 1/20 0.36
TPMT P51580 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL460622 0.98 KMT2A (0.40) KMT2AALDH1A1MAPTMAPK1TAS1R3
SCHEMBL22157785 0.95 KMT2A (0.39) KMT2AALDH1A1MAPTMAPK1TAS1R3
SCHEMBL22157680 0.95 KMT2A (0.39) KMT2AALDH1A1MAPTMAPK1TAS1R3
Benzene SCHEMBL16236190 0.93 KDM4E (0.40) KMT2AALDH1A1MAPTMAPK1TAS1R3
Dodecane SCHEMBL8532960 0.85 THRB (0.41) KMT2AALDH1A1MAPTMAPK1HPGD
SCHEMBL28338083 0.84 TAS1R3 (0.40) KMT2AALDH1A1MAPTMAPK1TAS1R3
SCHEMBL895436 0.83 KMT2A (0.40) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL29089262 0.82 TAS1R3 (0.38) KMT2AALDH1A1MAPTMAPK1TAS1R3
SCHEMBL21122159 0.79 TAS1R3 (0.39) KMT2AALDH1A1MAPTMAPK1TAS1R3
SCHEMBL1031821 0.79 ALDH1A1 (0.40) KMT2AALDH1A1MAPTMAPK1TAS1R3

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
US-5723512-A PHOTOINITIATORS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-03 US disclosed