SCHEMBL28557085

SCHEMBL28557085

N=Nc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ HSD17B10 Q99714 6/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ GLA P06280 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ WDR5 P61964 1/20 0.46
▸ METAP2 P50579 2/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ LDHA P00338 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP2 O75604 1/20 0.40

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
SCHEMBL11855294 0.79 HSD17B10 (0.50) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL344095 0.76 HSD17B10 (0.59) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL1661024 0.75 HSD17B10 (0.63) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL29593799 0.73 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL33850 0.73 WDR5 (0.68) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL29376013 0.73 WDR5 (0.68) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL1809752 0.73 HSD17B10 (0.61) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL29376732 0.73 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL4268 0.73 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10KDM4EGLA
SCHEMBL6708432 0.73 KMT2A (0.54) HPGDALDH1A1HSD17B10KDM4EMEN1

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 — — CN disclosed
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