SCHEMBL9764758

SCHEMBL9764758

C=CC=C1CC1C.CCC1CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL184794 0.82
Ethane SCHEMBL10930522 0.80
SCHEMBL32667642 0.66 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL43433 0.66
SCHEMBL2222242 0.66 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2150283 0.66 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6249810 0.66
SCHEMBL10482341 0.64 CHRNB2 (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL9418436 0.64 ALDH1A1 (0.32) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10482340 0.64 CHRNB2 (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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-4988660-A Metal oxide catalysts for oxidative coupling of hydrocarbons to form higher hydrocarbons UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-01-29 US disclosed
US-4982041-A ALKANE TO HIGHER HYDROCARBONS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-01-01 US disclosed