SCHEMBL31498428

SCHEMBL31498428

CCCCCCCCc1ccc2cc(Nc3ccccc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KCNH3 Q9ULD8 1/20 0.46
UNG P13051 3/20 0.45
BCHE P06276 1/20 0.44
GPR3 P46089 1/20 0.43
SNCA P37840 1/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL31498429 0.98 HSD17B10 (0.54) ALDH1A1CYP3A4HPGDHSD17B10KCNH3
SCHEMBL450142 0.90 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10UNG
SCHEMBL160938 0.90 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10UNG
SCHEMBL2570534 0.87 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDHSD17B10BCHE
SCHEMBL11204938 0.86 HTR2A (0.54) ALDH1A1CYP3A4HSD17B10KCNH3UNG
SCHEMBL27480376 0.86 HTR2A (0.54) ALDH1A1CYP3A4HSD17B10KCNH3UNG
SCHEMBL2493792 0.86 HTR2A (0.54) ALDH1A1CYP3A4HSD17B10KCNH3UNG
SCHEMBL449939 0.86 HTR2A (0.54) ALDH1A1CYP3A4HSD17B10KCNH3UNG
SCHEMBL21634393 0.86 HTR2A (0.54) ALDH1A1CYP3A4HSD17B10KCNH3UNG
SCHEMBL9702089 0.85 PTGS2 (0.56) ALDH1A1CYP3A4HPGDHSD17B10UNG

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