Ethane

Ethane

SCHEMBL28337271

C=CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.CC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1274933 1.00 USP2 (0.43) USP2SMN1; SMN2OPRD1OPRK1HPGD
SCHEMBL19735998 0.89 USP2 (0.43) USP2SMN1; SMN2OPRD1OPRK1HPGD
SCHEMBL16925300 0.87 USP2 (0.42) USP2SMN1; SMN2OPRD1OPRK1HPGD
SCHEMBL2604310 0.86 PKM (0.46) USP2SMN1; SMN2TSHRALOX15EPHX2
SCHEMBL27330337 0.85 USP2 (0.38) USP2SMN1; SMN2HPGDATMEPHX2
SCHEMBL1281827 0.84 USP2 (0.39) USP2SMN1; SMN2OPRD1OPRK1TSHR
SCHEMBL1951057 0.84 MMP2 (0.39) USP2SMN1; SMN2OPRD1OPRK1HPGD
SCHEMBL19735999 0.84 USP2 (0.39) USP2SMN1; SMN2OPRD1OPRK1HPGD
SCHEMBL30690046 0.84 CYP2D6 (0.43) USP2OPRD1HPGDTSHR
SCHEMBL31297015 0.83 MMP2 (0.41) USP2SMN1; SMN2HPGDCYP4F2CYP4A11

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
CN-110573499-A inhibitors of α v β 6 integrin 莫菲克医疗股份有限公司 2019-12-13 CN disclosed