SCHEMBL22909125

SCHEMBL22909125

CCc1cccc(Oc2cccc3c2C(=O)NC(=O)C3=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.40
▸ STK10 O94804 2/20 0.39
▸ SLK Q9H2G2 2/20 0.39
▸ MAOA P21397 5/20 0.38
▸ MAOB P27338 5/20 0.38
▸ CASP3 P42574 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TGM2 P21980 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL22904568 0.83 MMP13 (0.39) CASP3ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL26473527 0.80 HDAC4 (0.41) STK10SLKMAOAMAOBCASP3
SCHEMBL22904554 0.74 LMNA (0.44) CASP3ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL22904147 0.72 MAOB (0.38) MAOAMAOBCASP3SMN1; SMN2LMNA
SCHEMBL22904576 0.72 DAO (0.50) STK10SLKMAOAMAOBCASP3
SCHEMBL4466852 0.72 KCNA3 (0.43) ALDH1A1SMN1; SMN2L3MBTL1NPC1LMNA
SCHEMBL14266924 0.71 AR (0.48) SOD1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL5506330 0.71 MAOA (0.51) STK10SLKMAOAMAOBCASP3
SCHEMBL28812042 0.71 MAOA (0.59) MAOAMAOBSMN1; SMN2L3MBTL1MAPT
SCHEMBL9488681 0.70 ALDH1A1 (0.50) SOD1ALDH1A1SMN1; SMN2L3MBTL1MAPK1

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-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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