SCHEMBL6572630

SCHEMBL6572630

CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNS(C)(=O)=O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.82
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KLKB1 P03952 1/20 0.45

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
SCHEMBL4317420 0.90 PTPN1 (1.00) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4317427 0.90 PTPN1 (1.00) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6574724 0.90 PTPN1 (1.00) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6574992 0.89 PTPN1 (0.92) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572512 0.89 PTPN1 (0.88) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572619 0.88 PTPN1 (0.86) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572803 0.88 PTPN1 (0.92) PTPN1KLKB1
SCHEMBL6571540 0.87 PTPN1 (0.84) PTPN1
SCHEMBL6572915 0.87 PTPN1 (0.95) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6573285 0.86 PTPN1 (0.87) PTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed