SCHEMBL9449847

SCHEMBL9449847

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.57
▸ PTPN1 P18031 4/20 0.55
▸ CTSS P25774 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51

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
SCHEMBL29480470 0.91 CTSK (0.57) CTSKPTPN1CTSSCTSBCTSL
SCHEMBL29385108 0.89 PTPN1 (0.56) CTSKPTPN1CTSBHDAC1HDAC2
SCHEMBL30844624 0.88 HDAC1 (0.51) CTSKPTPN1HDAC1HDAC2
SCHEMBL13402442 0.87 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL28527138 0.87 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL31000548 0.87 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL11912033 0.87 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL29397673 0.87 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL9449334 0.87 PTPN1 (0.49) PTPN1
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.87 MDM4 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN — 1993-04-21 — — EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 — — EP disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 — — WO disclosed
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