Ethane

Ethane

SCHEMBL9580381

CC.O=C(O)C=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
HSP90AA1 P07900 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 1/20 0.59
THRB P10828 1/20 0.59
MAOA P21397 1/20 0.59
KDM4E B2RXH2 2/20 0.58
NFE2L2 Q16236 1/20 0.55
ALDH1A1 P00352 2/20 0.53
FBP1 P09467 1/20 0.53
HDAC3 O15379 1/20 0.52
TNKS O95271 1/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL15673342 0.97 NPSR1 (0.64) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL29426408 0.97 NPSR1 (0.64) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL80207 0.97 NPSR1 (0.64) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL80208 0.97 NPSR1 (0.64) P4HBNPSR1MEN1LMNAHSP90AA1
Hydrochloric Acid SCHEMBL4095648 0.95 P4HB (0.62) P4HBNPSR1MEN1LMNAHSP90AA1
Guanidine SCHEMBL8055577 0.88 NPSR1 (0.56) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL20227834 0.87 NPSR1 (0.54) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL16104741 0.87 NPSR1 (0.54) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL10585234 0.86 P4HB (0.56) P4HBNPSR1MEN1LMNAHSP90AA1
SCHEMBL6781559 0.86 P4HB (0.56) P4HBNPSR1MEN1LMNAHSP90AA1

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
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed