SCHEMBL9820259

SCHEMBL9820259

CN1CC(S(=O)(=O)CC(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.50
CYP1A2 P05177 1/20 0.50
CPA1 P15085 7/20 0.45
FOLH1 Q04609 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
REN P00797 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MME P08473 1/20 0.40

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
Hydrochloric Acid SCHEMBL7290196 0.99 CPA3 (0.49) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7434085 0.90 CPA3 (0.41) CPA3CYP1A2CPA1FOLH1SLC1A3
SCHEMBL7300947 0.87 KMT2A (0.43) CPA3CYP1A2FOLH1REN
SCHEMBL7382334 0.87 CYP1A2 (0.47) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7301076 0.87 CYP1A2 (0.47) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7273137 0.82 CYP1A2 (0.54) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7273127 0.82 CYP1A2 (0.54) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL9445001 0.81 CYP1A2 (0.53) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL9445007 0.81 CYP1A2 (0.53) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7414519 0.81 CYP1A2 (0.53) CPA3CYP1A2CPA1FOLH1CPB1

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-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed