SCHEMBL31550344

SCHEMBL31550344

COc1cc(C(=O)O)cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA3 P07451 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TPMT P51580 3/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL5365414 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL4595571 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL4595561 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL668838 0.90 KDM4E (0.69) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL12020886 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1LMNACA5A
SCHEMBL17382046 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1LMNACA1
SCHEMBL1620578 0.83 ALDH1A1 (0.79) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL4595564 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1LMNACA1
SCHEMBL1179149 0.81 TPMT (0.56) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL1291177 0.81 KDM4E (0.58) ALDH1A1KDM4ETDP1LMNACA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775201-A 2-Methoxy-4-amino-6-methylpyridine and synthetic method thereof 上海毕得医药科技股份有限公司 2025-04-08 — — CN disclosed
CN-119775201-A 2-Methoxy-4-amino-6-methylpyridine and synthetic method thereof 上海毕得医药科技股份有限公司 2025-04-08 — — CN disclosed
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