SCHEMBL16062650

SCHEMBL16062650

COc1ccc(C2(c3ccc(OC(=O)c4ccc(C(C)=O)cc4)cc3)CCCCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL12762427 0.92 PPARA (0.48) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL12445350 0.92 PPARA (0.44) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19863498 0.92 PPARA (0.44) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19870995 0.92 PPARA (0.44) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19870993 0.89 PPARA (0.46) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19863499 0.89 PPARA (0.42) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19870994 0.88 PPARA (0.41) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19870999 0.88 PPARA (0.41) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19863501 0.88 PPARA (0.41) KMT2APPARASMN1; SMN2ESR1ESR2
SCHEMBL19863503 0.88 KMT2A (0.41) KMT2APPARASMN1; SMN2ESR1ESR2

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-8835085-B2 Low strain anti-curl back coating for flexible imaging members XEROX CORPORATION (US) 2014-09-16 — — US disclosed
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