SCHEMBL30972506

SCHEMBL30972506

COC(=O)[C@@]1(C(C)C)C(=O)N(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CBX7 O95931 2/20 0.38
▸ CDY1; CDY1B Q9Y6F8 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CDYL2 Q8N8U2 1/20 0.38
▸ CDYL Q9Y232 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL30972513 0.78 MAPT (0.49) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL30972518 0.74 ALDH1A1 (0.49) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL30972526 0.72 ALDH1A1 (0.47) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL26452856 0.72 RAD52 (0.54) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL24195289 0.70 RAD52 (0.67) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL28352135 0.70 ADAMTS5 (0.42) ALDH1A1LMNAKDM4EADAMTS5MAPK1
SCHEMBL30972515 0.70 MAPT (0.45) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL28250136 0.70 RAD52 (0.53) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL11996613 0.70 P2RX4 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10370674 0.69 RAD52 (0.48) RAD52ALDH1A1MAPTPKMLMNA

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-2024138228-A1 COMPOSITIONS, SYSTEMS AND METHODS FOR STEREOSELECTIVE MODIFICATION OF AROMATIC SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-27 — — WO disclosed
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