SCHEMBL5413786

SCHEMBL5413786

CCCCc1oc2ccccc2c1Cc1ccc2cc(O)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 1.00
EYA3 Q99504 2/20 0.50
NQO1 P15559 1/20 0.48
TTR P02766 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL6730825 0.88 PTPN1 (0.93) PTPN1EYA3TTRNR1H4
SCHEMBL5411571 0.84 PTPN1 (1.00) PTPN1EYA3NQO1TTR
SCHEMBL5416428 0.84 PTPN1 (1.00) PTPN1EYA3NQO1TTR
SCHEMBL6735103 0.80 PTPN1 (0.75) PTPN1EYA3TTRNR1H4
SCHEMBL3864688 0.78 PTPN1 (0.71) PTPN1EYA3TTRNR1H4
SCHEMBL5764063 0.78 PTPN1 (0.83) PTPN1EYA3
SCHEMBL10449009 0.76 PTPN1 (0.62) PTPN1EYA3TTR
SCHEMBL4670176 0.76 PTPN1 (0.61) PTPN1EYA3TTRNR1H4
SCHEMBL4673730 0.76 PTPN1 (0.61) PTPN1EYA3TTRNR1H4
SCHEMBL5413746 0.75 PTPN1 (1.00) PTPN1EYA3NQO1TTRNR1H4

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-7291639-B2 Aryloxy-acetic acid compounds useful as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2007-11-06 US claimed