SCHEMBL28719517

SCHEMBL28719517

O=C(O)Cc1c(CO)c2ccccc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PCSK7 Q16549 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55
▸ BRAF P15056 4/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL10638322 0.87 NQO1 (0.73) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL1568301 0.87 NQO1 (0.66) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL2522178 0.86 ALDH1A1 (0.50) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL2028247 0.83 ALDH1A1 (0.50) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL3931144 0.81 GAA (0.57) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL307859 0.81 CA12 (0.60) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL28996989 0.81 NQO1 (0.58) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL28716052 0.79 BRAF (0.50) NQO1MEN1KMT2AALDH1A1LMNA
SCHEMBL26092227 0.79 PTGDR2 (0.46) NQO1TP53CYP2C9BRAFCA12
SCHEMBL21082995 0.78 NQO1 (0.48) NQO1MEN1KMT2AALDH1A1LMNA

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-110157251-B Curing agent composition and coating composition comprising same KCC公司 2022-04-01 — — CN claimed
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