SCHEMBL30736732

SCHEMBL30736732

COC(=O)c1cnn(Cc2ccccc2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 1/20 0.38
SCD O00767 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL27378931 0.95 NPBWR1 (0.43) NPBWR1AGTR1AGTR2LMNAALDH1A1
SCHEMBL30736709 0.89 L3MBTL1 (0.44) LMNAALDH1A1HPGDPOLBKDR
SCHEMBL27286278 0.89 LMNA (0.37) NPBWR1AGTR1AGTR2LMNAALDH1A1
SCHEMBL30736841 0.89 CRHBP (0.44) LMNAALDH1A1HPGDKMT2AGRM2
SCHEMBL27372319 0.84 ADRA1A (0.35) NPBWR1LMNAALDH1A1HPGDKDM4E
SCHEMBL27376022 0.83 L3MBTL1 (0.47) NPBWR1AGTR1AGTR2LMNAALDH1A1
SCHEMBL27286149 0.83 LMNA (0.48) NPBWR1AGTR1AGTR2LMNAALDH1A1
SCHEMBL30730090 0.78 CD74 (0.54) HPGDKDM4EPOLBMEN1KMT2A
SCHEMBL19087043 0.78 ALDH1A1 (0.53) NPBWR1AGTR1AGTR2LMNAALDH1A1
SCHEMBL3765456 0.76 KLKB1 (0.53) ALDH1A1KDM4EPOLBKLKB1

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
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed