SCHEMBL31365890

SCHEMBL31365890

CC1=C(C)C(c2ccccc2Cl)C(C)=C(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 6/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
GLA P06280 2/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
TP53 P04637 2/20 0.40
AGTR1 P30556 2/20 0.39
TSHR P16473 5/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C9 P11712 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL11117170 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL11003021 0.80 KDM4E (0.60) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL11005620 0.78 KDM4E (0.65) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL31365892 0.77 HTR1A (0.58) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL9689463 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL13198587 0.77 HTR1A (0.58) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL3016302 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL3034308 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL9691268 0.76 TSHR (0.48) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL11115795 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EGAAHPGDPOLB

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-119064485-A Detection method of related substances of levamlodipine besylate tablet 江苏万珺医药科技有限公司 2024-12-03 CN claimed