SCHEMBL8758435

SCHEMBL8758435

CC(C)c1ccc(N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
NPC1 O15118 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7717526 1.00 KIF11 (0.49) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL133675 1.00 KIF11 (0.49) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL239300 0.84 MAPT (0.47) RAB9AMEN1KMT2ACYP2C9NPC1
SCHEMBL239301 0.84 MAPT (0.47) RAB9AMEN1KMT2ACYP2C9NPC1
SCHEMBL1421530 0.84 MEN1 (0.57) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2282234 0.84 MEN1 (0.57) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL669319 0.84 MEN1 (0.57) RAB9ASMN1; SMN2MEN1KMT2ANPC1
Water SCHEMBL9435219 0.82 MAPT (0.45) RAB9AMEN1KMT2ACYP2C9NPC1
SCHEMBL7028109 0.82 CA12 (0.47) RAB9AHPGDMEN1KMT2AHIF1A
SCHEMBL7089012 0.82 CA12 (0.47) RAB9AHPGDMEN1KMT2AHIF1A

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
EP-0773956-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-05-21 EP disclosed
WO-1996004298-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-02-15 WO disclosed