SCHEMBL29029886

SCHEMBL29029886

CC(C)C(=O)c1ccccc1COC(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CTSS P25774 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ PSEN1 P49768 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
SCHEMBL27571702 0.79 IDO1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL27574459 0.79 L3MBTL1 (0.49) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL27689604 0.78 ALDH1A1 (0.51) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL27629113 0.78 KMT2A (0.50) MEN1KMT2ACTSSALDH1A1TSHR
SCHEMBL7408262 0.78 SMN1; SMN2 (0.43) MEN1KMT2ACTSSALDH1A1TSHR
SCHEMBL27554661 0.78 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL29029883 0.77 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL27820507 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL28131287 0.77 ALDH1A1 (0.44) MEN1KMT2ACTSSALDH1A1TSHR
SCHEMBL12303148 0.75 EPHX1 (0.56) MEN1KMT2ACTSSALDH1A1MAPT

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-112028816-B Synthesis method of substituted isoindoline 江阴迈康升华医药科技有限公司 2022-10-14 — — CN disclosed
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