SCHEMBL9546358

SCHEMBL9546358

CC(C)C(C)(C)c1cc(CCC(=O)NN)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 2/20 0.41
KDM1A O60341 1/20 0.40
IAPP P10997 3/20 0.38
ALOX5 P09917 1/20 0.38
OR51E2 Q9H255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8340607 0.86 GAA (0.71) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9625369 0.85 GAA (0.74) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8336816 0.80 GAA (0.48) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23067196 0.77 IAPP (0.57) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20882004 0.76 HIF1A (0.52) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4600026 0.75 GAA (0.54) GAACYP2C9CYP2C19KMT2AIAPP
SCHEMBL8606709 0.74 GAA (0.48) GAAKMT2AALDH1A1LMNAMAPT
SCHEMBL3455767 0.73 GAA (1.00) GAACYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL1358498 0.73 HIF1A (0.52) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL315837 0.73 GAA (1.00) GAACYP1A2CYP3A4CYP2D6HIF1A

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
WO-1993024938-A1 TELEPHONE CABLES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-12-09 WO disclosed