SCHEMBL19996618

SCHEMBL19996618

O=C(CO)CCc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.66
▸ PTPN2 P17706 5/20 0.66
▸ PTPN6 P29350 5/20 0.66
▸ PTPN11 Q06124 4/20 0.66
▸ PGK1 P00558 2/20 0.57
▸ PGK2 P07205 2/20 0.57
▸ PTPRB P23467 3/20 0.51
▸ PTPRC P08575 2/20 0.51
▸ CDC25A P30304 1/20 0.51
▸ PTPN5 P54829 1/20 0.47

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
SCHEMBL330067 0.84 PTPN1 (0.70) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL4316970 0.80 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL13372416 0.79 PTPN1 (0.62) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL19696719 0.74 PTPN1 (0.70) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL19696718 0.74 PTPN1 (0.81) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3385203 0.73 PTPN1 (0.66) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL12682225 0.73 PGK1 (0.64) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL20672233 0.73 PTPN1 (0.78) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7535721 0.73 PGK1 (0.69) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL3736057 0.73 PTPN1 (0.62) PTPN1PTPN2PTPN6PTPN11PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925504-B2 Compartmentalised combinatorial chemistry by microfluidic control PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 — — US disclosed
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