SCHEMBL19070697

SCHEMBL19070697

COCC1CC(O)=C(c2cc(O)ccc2C2CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 5/20 0.39
▸ ESR1 P03372 5/20 0.39
▸ TYR P14679 1/20 0.33
▸ CYP26A1 O43174 3/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ CYP24A1 Q07973 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GLA P06280 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 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
SCHEMBL16256579 0.88 METAP1 (0.39) CYP26A1CYP24A1CYP19A1LMNAMEN1
SCHEMBL19070884 0.84 ACACB (0.36) ESR2ESR1CYP26A1CYP24A1CYP19A1
SCHEMBL19071419 0.82 MEN1 (0.34) ESR2ESR1CYP26A1CYP24A1CYP19A1
SCHEMBL19070695 0.80 HSD17B1 (0.36) ESR2ESR1TYRHSD17B1CYP19A1
SCHEMBL19070317 0.78 OPRL1 (0.33) CYP26A1CYP19A1
SCHEMBL19071000 0.76 DRD4 (0.33) —
SCHEMBL16256578 0.72 ACHE (0.41) CYP26A1CYP24A1CYP19A1MEN1KMT2A
SCHEMBL19071282 0.71 METAP1 (0.32) CYP24A1
SCHEMBL16256588 0.71 CNR2 (0.38) CYP26A1CYP24A1MEN1KMT2AALDH1A1
SCHEMBL16256577 0.71 ACHE (0.52) CYP26A1CYP24A1CYP19A1LMNAMEN1

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-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 — — EP disclosed
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