SCHEMBL7206919

SCHEMBL7206919

CC(C)c1[c]c(C(C)C)cc(C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNN4 O15554 6/20 0.40
CES1 P23141 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
MAPT P10636 3/20 0.34
PTGS1 P23219 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
PTGS2 P35354 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 2/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7208338 0.86 HDAC3 (0.41) CYP1A2CYP2D6CES1BCL2MCL1
SCHEMBL7212843 0.76 CES2 (0.52) CES1BCL2MCL1GABRA1GABRB1
SCHEMBL7206915 0.74 KCNN4 (0.37) CYP1A2CYP2D6KCNN4CES1BCL2
SCHEMBL1508202 0.72 CES1 (0.56) CYP1A2KCNN4CES1MAPTLMNA
SCHEMBL15519395 0.72 CES1 (0.56) CYP1A2KCNN4CES1MAPTLMNA
SCHEMBL7207551 0.72 L3MBTL1 (0.56) CES1GABRA1GABRB1MAPTPTGS1
SCHEMBL7211288 0.72 PTGS2 (0.41) CES1MAPTPTGS1CXCR1CXCR2
SCHEMBL7211116 0.72 RAB9A (0.51) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7206391 0.71 MAPT (0.47) CES1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL9408445 0.70 ALDH1A1 (0.44) CYP1A2CYP2D6SMN1; SMN2KDM4EALDH1A1

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-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed