SCHEMBL10723596

SCHEMBL10723596

C=CC(C)(C)c1ccc(C(=O)OO)c(C(=O)OO)c1C(C)(C)C=C

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.30
▸ IDH1 O75874 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ UGT1A1 P22309 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10727769 0.88 PTPN1 (0.33) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL10723585 0.82 CYP3A4 (0.34) ABCB1
SCHEMBL316065 0.76 POLB (0.35) KMT2A
SCHEMBL10354213 0.76 CYP3A4 (0.40) —
SCHEMBL1348416 0.74 KMT2A (0.33) KMT2A
SCHEMBL9850337 0.71 MAPK1 (0.33) PTPN1KMT2A
SCHEMBL122561 0.70 POLB (0.38) KMT2A
SCHEMBL363479 0.68 MAPT (0.41) KMT2A
SCHEMBL382358 0.68 GLRA3 (0.36) —
SCHEMBL1716755 0.68 GLRA3 (0.40) —

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-4705888-A POLYMERIZATION CATALYSTS AKZO NV (NL) 1987-11-10 — — US disclosed
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