SCHEMBL12598604

SCHEMBL12598604

COc1cc(C(=O)C(=O)O)cc(OC)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CA3 P07451 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ TPMT P51580 2/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ HTT P42858 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
SCHEMBL907576 0.83 TPMT (0.56) MEN1KMT2ATPMTCYP3A4CYP1A2
SCHEMBL668540 0.83 CA12 (0.69) RXFP1MEN1KMT2ACA12CA1
SCHEMBL12327904 0.78 LMNA (0.69) RXFP1MEN1KMT2ACA12CA1
SCHEMBL10824650 0.78 MEN1 (0.58) RXFP1MEN1KMT2ACA12CA1
SCHEMBL339242 0.78 CA12 (0.71) MEN1KMT2ACA12CA1CA2
SCHEMBL668639 0.77 RXFP1 (0.56) RXFP1MEN1KMT2ACA12CA1
SCHEMBL2114318 0.77 KMT2A (0.61) RXFP1MEN1KMT2ACA12CA1
SCHEMBL1004561 0.77 TSHR (0.59) RXFP1MEN1KMT2ACA12CA1
SCHEMBL5240901 0.77 MEN1 (0.56) RXFP1MEN1KMT2ACA12CA1
SCHEMBL27468173 0.76 CA12 (0.69) MEN1KMT2ACA12CA1CA2

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
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 — — EP disclosed
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