Ethane

Ethane

SCHEMBL11166229

CC.N#CCc1ccc(OC(F)F)cc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
CCR6 P51684 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
DAO P14920 1/20 0.38
DRD1 P21728 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL349208 0.96 LMNA (0.42) ACACBLMNAKMT2AHTTMEN1
SCHEMBL19781563 0.81 POLB (0.50) ACACBLMNAKMT2APKMNPC1
SCHEMBL4116479 0.80 MAPT (0.53) LMNAKMT2AHTTMEN1SMN1; SMN2
SCHEMBL28035017 0.78 PKM (0.40) KMT2APKMNPC1RAB9APOLB
SCHEMBL6573779 0.78 PKM (0.40) KMT2APKMNPC1RAB9APOLB
SCHEMBL5176295 0.75 MEP1B (0.47) ACACBLMNAKMT2AMEN1RAB9A
SCHEMBL13203140 0.74 PKM (0.41) LMNAKMT2AHTTPKMNPC1
3-Methoxyphenylacetonitrile SCHEMBL103029 0.74 PKM (0.61) LMNAKMT2AMEN1SMN1; SMN2PKM
SCHEMBL257110 0.74 PPARG (0.50) ACACBLMNAKMT2AHTTMEN1
SCHEMBL24094550 0.74 MAPT (0.39) LMNAHTTSMN1; SMN2PKMTSHR

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-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed