SCHEMBL30812742

SCHEMBL30812742

OCC=Cc1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ RECQL P46063 1/20 1.00
▸ LCK P06239 4/20 0.67
▸ NQO2 P16083 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ ALOX12 P18054 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TTR P02766 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ MMP2 P08253 2/20 0.55
▸ ALOX5 P09917 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ MMP9 P14780 2/20 0.55
▸ HPGD P15428 2/20 0.55

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
SCHEMBL197852 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL197853 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL30884134 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL10424567 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL12692553 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL18014934 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL14143279 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL18324157 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4RECQLLCKTTR
SCHEMBL31706727 0.81 LCK (1.00) ALDH1A1CYP3A4RECQLLCKNQO2
SCHEMBL1824175 0.81 LCK (1.00) ALDH1A1CYP3A4RECQLLCKNQO2

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-117305195-A Genetically engineered bacterium for producing cinnamic acid and derivatives thereof, construction method and application thereof 杭州唯铂莱生物科技有限公司 2023-12-29 — — CN disclosed
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