SCHEMBL8485704

SCHEMBL8485704

NCC(=O)N(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
AOC3 Q16853 5/20 0.40
HNF4A P41235 2/20 0.38
ACMSD Q8TDX5 2/20 0.38
DHFR P00374 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
DCLRE1A Q6PJP8 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
ALOX15 P16050 1/20 0.37
DHODH Q02127 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
SCHEMBL8483275 0.87 PTPN1 (0.41) PTPN1ALDH1A1MAPTALOX15
SCHEMBL1239567 0.80 PTPN1 (0.59) PTPN1CDC25BATM
SCHEMBL8479230 0.78 LTB4R2 (0.42) PTPN1DCLRE1B
SCHEMBL8485734 0.78 PTPN1 (0.43) PTPN1ALDH1A1ALOX15
SCHEMBL17197587 0.76 CDC25B (0.50) PTPN1CDC25BATMHNF4AACMSD
SCHEMBL3231875 0.75 NPC1 (0.68) PTPN1ATMALDH1A1MAPTALOX15
SCHEMBL5696468 0.75 LTB4R2 (0.48) PTPN1ALDH1A1MAPTALOX15
SCHEMBL8556010 0.75 RXRA (0.49) PTPN1
SCHEMBL4022644 0.74 ALDH1A1 (0.48) PTPN1CDC25BATMHNF4AACMSD
SCHEMBL1561385 0.73 ALDH1A1 (0.63) ATMAOC3ALDH1A1

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
US-5925647-A TREATMENT OF INSULIN NON-INSULIN DEPENDENT DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5681958-A TREATMENT OF DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed