Ethane

Ethane

SCHEMBL27995166

CC.CCC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL27501736 0.98 TSHR (0.35) MEN1CYP1A2POLBTSHRAPEX1
Methylamine SCHEMBL28201991 0.95 MEN1 (0.33) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL28237893 0.84 OPRM1 (0.33) MEN1CYP1A2POLBTSHRAPEX1
SCHEMBL28146070 0.81
SCHEMBL29173302 0.81 CYP19A1 (0.36)
SCHEMBL28463701 0.81 SLC6A4 (0.35)
SCHEMBL28486650 0.81 TSHR (0.32) TSHRTDP1OPRM1OPRK1OPRL1
SCHEMBL28161702 0.81 ESR1 (0.33) MEN1CYP1A2TSHRKMT2ALMNA
Methylamine SCHEMBL42507 0.81 MAOB (0.40)
SCHEMBL11780784 0.80 MAOA (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411166-B Pesticidal compositions in the form of aqueous emulsions 住友化学株式会社 2017-12-01 CN disclosed
CN-104411169-B Microcapsules 住友化学株式会社 2017-11-10 CN disclosed
CN-104411166-A Pesticidal compositions in the form of aqueous emulsions SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed
CN-104411169-A Microcapsule SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed