SCHEMBL9359388

SCHEMBL9359388

CC(C)(C)c1cccc(C(C)(C)C)c1OS(=O)(=O)N(C(=O)O)c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9139099 0.90 GABRA1 (0.38) ALDH1A1KDM4EGAA
SCHEMBL7108589 0.87
SCHEMBL9359108 0.87
SCHEMBL9139069 0.78 CA2 (0.38) CA2ALDH1A1KDM4EATMTDP1
SCHEMBL7168915 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7168918 0.75
SCHEMBL9138070 0.75 THRA (0.38) ALDH1A1
SCHEMBL7081976 0.72 RBP4 (0.39) CA2
SCHEMBL17452140 0.72 CA2 (0.45) CA2ALDH1A1TDP1
SCHEMBL9137932 0.72 ALDH1A1 (0.40) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555351-B1 OXYSULFONYL CARBAMATES WARNER LAMBERT CO (US) 1994-12-28 EP disclosed
US-5245068-A Acylcoenzyme A cholesterol acyltransferase inhibitors WARNER-LAMBERT COMPANY (US) 1993-09-14 US disclosed
EP-0555351-A1 OXYSULFONYL CARBAMATES. WARNER LAMBERT CO (US) 1993-08-18 EP disclosed
WO-1992007826-A1 OXYSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed