SCHEMBL19070718

SCHEMBL19070718

Cc1ccc(O)cc1C1=C(O)CC(CC2CCOCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.36
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CSF1R P07333 1/20 0.33
▸ ACHE P22303 5/20 0.33
▸ CYP26A1 O43174 3/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LDLR P01130 1/20 0.31

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
SCHEMBL19071149 0.93 DRD4 (0.33) RIPK2CNR1CNR2CSF1RCYP26A1
SCHEMBL19070272 0.87 CNR1 (0.34) CNR1CNR2ACHECYP26A1CYP19A1
SCHEMBL16256584 0.87 CYP26A1 (0.38) CNR1CNR2ACHECYP26A1CYP19A1
SCHEMBL19070317 0.85 OPRL1 (0.33) CNR1CNR2ACHECYP26A1CYP19A1
SCHEMBL10187588 0.82 DAO (0.31) CNR1CNR2CYP19A1NPC1RAB9A
SCHEMBL19070823 0.81 HSD17B3 (0.32) CNR1CNR2CYP26A1
SCHEMBL16256582 0.81 CYP26A1 (0.36) CNR1CNR2ACHECYP26A1CYP19A1
SCHEMBL19071509 0.80 XDH (0.33) —
SCHEMBL12239446 0.80 NPC1 (0.32) CNR1CNR2ACHEALDH1A1TP53
SCHEMBL19071000 0.79 DRD4 (0.33) CNR1CNR2

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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