SCHEMBL30788528

SCHEMBL30788528

CCc1ccc(OCCCSCc2n[nH]c(=O)[nH]2)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29125954 1.00 LMNA (0.44) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL30788472 0.89 ALDH1A1 (0.41) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29125772 0.89 ALDH1A1 (0.41) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29125714 0.83 CYP1A2 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL30788510 0.83 CYP1A2 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29126003 0.81 TSHR (0.49) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29125948 0.80 KMT2A (0.53) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL30788482 0.79 ALDH1A1 (0.42) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29126012 0.79 ALDH1A1 (0.42) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL30788513 0.79 KMT2A (0.50) LMNAMAPTALDH1A1HTTPOLB

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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