SCHEMBL31498429

SCHEMBL31498429

CCCCCc1ccc2cc(Nc3ccccc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
KCNH3 Q9ULD8 1/20 0.47
BCHE P06276 2/20 0.45
SNCA P37840 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
UNG P13051 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL31498428 0.98 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP3A4HPGDKCNH3
SCHEMBL450142 0.88 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP3A4HPGDBCHE
SCHEMBL160938 0.88 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP3A4HPGDBCHE
SCHEMBL9702089 0.87 PTGS2 (0.56) HSD17B10ALDH1A1CYP3A4HPGDLMNA
SCHEMBL18317068 0.85 TRPV1 (0.53) HSD17B10ALDH1A1CYP3A4HPGDKCNH3
SCHEMBL2570534 0.85 ALDH1A1 (0.51) HSD17B10ALDH1A1CYP3A4HPGDBCHE
SCHEMBL10106218 0.84 LPL (0.50) ALDH1A1KCNH3SIGMAR1MAPTNPSR1
SCHEMBL449939 0.84 HTR2A (0.54) HSD17B10ALDH1A1CYP3A4KCNH3LMNA
SCHEMBL21634393 0.84 HTR2A (0.54) HSD17B10ALDH1A1CYP3A4KCNH3LMNA
SCHEMBL27480376 0.84 HTR2A (0.54) HSD17B10ALDH1A1CYP3A4KCNH3LMNA

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-119842071-A Conductive polymer material, preparation method and application 北京大学深圳研究生院 2025-04-18 CN disclosed