SCHEMBL30637698

SCHEMBL30637698

COCCOCc1nc(C)ccc1C(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3758529 0.84 HCRTR1 (0.35) ALDH1A1MAPTCYP2C19
SCHEMBL13291365 0.82 CNR1 (0.32) CNR1CNR2ALDH1A1HSD17B10MEN1
SCHEMBL13291364 0.80 HSD11B1 (0.32) CNR1CNR2ALDH1A1KDM4EHSD17B10
SCHEMBL18323055 0.76 MEN1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL8193604 0.71 MEN1 (0.42) ALDH1A1SMN1; SMN2ADORA2ACYP2C19KDM4E
SCHEMBL30533144 0.70 TRPV3 (0.35) CNR1
SCHEMBL20760039 0.69 MAPK1 (0.41)
SCHEMBL6223208 0.69 REN (0.42) CNR1CNR2ALDH1A1MAPTTHRB
SCHEMBL13126350 0.66
SCHEMBL10367522 0.65 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2POLBKDM4E

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
CN-117043143-A Substituted 2- (heteroaryloxyphenyl) sulfonates, salts thereof and their use as herbicides 拜耳公司 2023-11-10 CN disclosed