SCHEMBL30901182

SCHEMBL30901182

CC1CCCCC1.CC1CCCCC1.COC(=O)C1CCC(C(=O)OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
GAA P10253 1/20 0.39
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 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
SCHEMBL15189483 0.94 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1TP53EPHX1
SCHEMBL27025580 0.89 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1TP53EPHX1
SCHEMBL764832 0.89 TP53 (0.48) SMN1; SMN2POLBALDH1A1TP53EPHX1
SCHEMBL14424491 0.89 TP53 (0.48) SMN1; SMN2POLBALDH1A1TP53EPHX1
SCHEMBL255285 0.89 TP53 (0.48) SMN1; SMN2POLBALDH1A1TP53EPHX1
Hydrochloric Acid SCHEMBL27278187 0.86 TP53 (0.47) SMN1; SMN2POLBTP53CHRNB2CHRNA4
SCHEMBL18760457 0.86 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CHRNB2
SCHEMBL18552 0.86 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CHRNB2
SCHEMBL1818944 0.86 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CHRNB2
SCHEMBL15443235 0.86 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CHRNB2

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
CN-115368210-B Treatment method of tail gas hydrogen of hydrogenation reaction 浙江清和新材料科技有限公司 2024-04-30 CN claimed
CN-115368210-B Treatment method of tail gas hydrogen of hydrogenation reaction 浙江清和新材料科技有限公司 2024-04-30 CN disclosed