SCHEMBL4729099

SCHEMBL4729099

CCC(CC)c1ccc(N(Cc2nc(-c3ccc(CO)cc3)cs2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
ACVRL1 P37023 1/20 0.35
ADRB3 P13945 2/20 0.34
ALDH1A1 P00352 6/20 0.33
RAB9A P51151 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
OPRK1 P41145 1/20 0.32
EGFR P00533 1/20 0.32
GAA P10253 2/20 0.32
CNR2 P34972 1/20 0.32
CD74 P04233 1/20 0.32

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
SCHEMBL4726316 0.92 PTPN1 (0.38) PTPN1PTPN2ACVRL1ADRB3ALDH1A1
SCHEMBL4729235 0.89 PTPN1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4726976 0.85 PTPN1 (0.36) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4781642 0.85 MAPT (0.46) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL5999810 0.84 PTPN1 (0.36) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4730043 0.83 PTPN1 (0.41) PTPN1PTPN2ALDH1A1RAB9AL3MBTL1
SCHEMBL14261198 0.81 ALDH1A1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL6000635 0.80 PTPN1 (0.49) PTPN1PTPN2L3MBTL1MEN1KMT2A
SCHEMBL6000424 0.80 PTPN1 (0.41) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4730045 0.79 PTPN1 (0.34) PTPN1PTPN2ALDH1A1RAB9AL3MBTL1

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
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed