SCHEMBL8813613

SCHEMBL8813613

CC1(C)CCCC(=O)C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.33
HTT P42858 2/20 0.33
MCL1 Q07820 2/20 0.32
CYP1A2 P05177 1/20 0.32
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.31
CYP19A1 P11511 2/20 0.30
HAO1 Q9UJM8 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL11399520 0.84 HTT (0.36) HTTPOLBCYP19A1CA1CA2
SCHEMBL4135825 0.79 ALDH1A1 (0.40) HTT
SCHEMBL2185238 0.78 TRPA1 (0.41) UGT2B7MCL1CYP1A2APLNR
SCHEMBL30585225 0.74 PTPN2 (0.46) UGT2B7CYP19A1
SCHEMBL30585222 0.74 PTPN2 (0.46) UGT2B7CYP19A1
SCHEMBL25396197 0.74 PTPN2 (0.46) UGT2B7CYP19A1
SCHEMBL20599606 0.74 SMN1; SMN2 (0.36) HTTAPLNRPOLB
SCHEMBL4254045 0.70 CA1 (0.39) POLBCYP19A1CA1CA2CA4
SCHEMBL25137147 0.70 CA1 (0.39) POLBCYP19A1CA1CA2CA4
SCHEMBL29007117 0.69 MCL1 (0.36) HTTMCL1CYP1A2

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
EP-0549073-B1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI SA (FR) 1997-03-26 EP disclosed