SCHEMBL7017357

SCHEMBL7017357

CC1CCCC(OC(=O)O)C1OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2426612 0.85 SERPINE1 (0.31)
SCHEMBL6818608 0.82
SCHEMBL9166161 0.78 SERPINE1 (0.38) ALDH1A1HTT
SCHEMBL906181 0.78 SERPINE1 (0.38) ALDH1A1HTT
SCHEMBL1069661 0.78 SERPINE1 (0.38) ALDH1A1HTT
SCHEMBL1078895 0.77 CYP1A2 (0.31)
SCHEMBL3039156 0.75
SCHEMBL7023124 0.75
SCHEMBL1077926 0.73 CYP1A2 (0.31)
SCHEMBL1078453 0.73 BTK (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363868-B1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF SE (DE) 2017-11-01 EP claimed
EP-1363868-A1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-11-26 EP claimed
WO-2002066412-A1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-08-29 WO claimed
EP-1363868-B1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF SE (DE) 2017-11-01 EP disclosed
EP-1363868-A1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-11-26 EP disclosed
WO-2002066412-A1 METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-08-29 WO disclosed