SCHEMBL17703602

SCHEMBL17703602

Cc1cc(C)c(C2=C(O)C3(CCN(O)CC3)N(CC3CCCO3)C2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
OPRD1 P41143 4/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL46138 0.90 OPRM1 (0.36) OPRM1OPRK1ALDH1A1TSHRGAA
SCHEMBL17703573 0.85 HTR2A (0.31)
SCHEMBL19139394 0.83 HPGD (0.35) OPRM1OPRK1ALDH1A1GAAHTT
SCHEMBL17703574 0.81 HTR2A (0.30)
SCHEMBL17703556 0.79 ALDH1A1 (0.34) ALDH1A1HTT
SCHEMBL17703659 0.78 HTT (0.30) HTT
SCHEMBL17703562 0.77
SCHEMBL19139498 0.77
SCHEMBL12070317 0.76 ALDH1A1 (0.35) OPRM1OPRK1ALDH1A1TSHRGAA
SCHEMBL17703592 0.75 HTR2A (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575469-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-14 EP disclosed
EP-2575472-B1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA USING SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-19 EP disclosed
EP-2575449-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-27 EP disclosed