SCHEMBL6506765

SCHEMBL6506765

CCCCCCCOc1ccc(Br)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OC(=O)c1cc(Br)ccc1OCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ KIFC1 Q9BW19 2/20 0.40
▸ PPARD Q03181 9/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ PPARG P37231 4/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ PSEN1 P49768 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL3998693 0.94 PTPN1 (0.43) PTPN1KIFC1PPARDPPARAPPARG
SCHEMBL3999740 0.92 KIFC1 (0.48) PTPN1KIFC1PPARDPPARAPPARG
SCHEMBL4831640 0.92 KIFC1 (0.48) PTPN1KIFC1PPARDPPARAPPARG
SCHEMBL6506763 0.90 KIFC1 (0.47) PTPN1KIFC1PPARDPPARAPPARG
SCHEMBL6506764 0.90 KIFC1 (0.47) PTPN1KIFC1PPARDPPARAPPARG
SCHEMBL6183680 0.88 PTPN1 (0.45) PTPN1PPARDPPARAPPARGKCNQ3
SCHEMBL3995232 0.86 ITGA4 (0.43) KIFC1PPARGPTPN11ITGB1ITGA4
SCHEMBL4829602 0.85 ITGA4 (0.44) PTPN1KIFC1PTPN11ITGB1ITGA4
SCHEMBL4829606 0.85 ITGA4 (0.44) PTPN1KIFC1PTPN11ITGB1ITGA4
SCHEMBL3995215 0.84 PTPN11 (0.46) PTPN1KIFC1PTPN11ITGB1ITGA4

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
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO disclosed
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