SCHEMBL30238752

SCHEMBL30238752

C[C@H](N[S@+]([O-])C(C)(C)C)c1ccco1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ POLB P06746 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ HTR7 P34969 2/20 0.30
▸ HTR6 P50406 2/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL14751090 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL28457515 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL28457518 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL28457517 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL26126464 0.78 ADORA2A (0.38) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL30588802 0.78 ADORA2A (0.38) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL26126467 0.78 ADORA2A (0.38) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL24003499 0.73 CHRM2 (0.39) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL19421494 0.73 CHRM2 (0.39) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL30238788 0.73 CHRM2 (0.39) ALDH1A1KMT2AMEN1POLBL3MBTL1

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-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 — — CN disclosed
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