SCHEMBL27426717

SCHEMBL27426717

COc1cc(C=O)cc(I)c1OC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ APP P05067 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ ALDH5A1 P51649 1/20 0.40
▸ ABAT P80404 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.36

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
SCHEMBL27426715 0.88 ELANE (0.39) —
SCHEMBL27426719 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRKDM4EHTT
SCHEMBL668507 0.84 TUBB4A (0.51) ALDH1A1MAPK1KMT2AAPPHPGD
SCHEMBL27426726 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2AAPPHPGD
SCHEMBL23094546 0.83 TUBB1 (0.44) ALDH1A1MAPK1KMT2AHPGDTRIM24
SCHEMBL29052778 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1KMT2AHPGDTRIM24
SCHEMBL30573291 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1KMT2AHPGDTRIM24
SCHEMBL2335896 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1KMT2AAPPHPGD
SCHEMBL30426642 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1KMT2AAPPHPGD
SCHEMBL27426721 0.79 ELANE (0.41) ALDH1A1HPGDTRIM24ALDH5A1ABAT

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
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 — — WO disclosed
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