SCHEMBL30683090

SCHEMBL30683090

CC(O)CC(C)(C)C(C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
CTRB1 P17538 1/20 0.41
HSD11B1 P28845 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL26932103 1.00 TDP1 (0.44) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL24838501 0.85 ALDH1A1 (0.44) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL24838499 0.84 ALDH1A1 (0.43) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL26932327 0.84 LMNA (0.43) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL30683087 0.84 LMNA (0.43) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL26931875 0.83 LMNA (0.47) TDP1LMNAALDH1A1GAACYP3A4
SCHEMBL24838500 0.83 ALDH1A1 (0.42) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL30683111 0.81 ALDH1A1 (0.40) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL30683055 0.81 ALDH1A1 (0.40) TDP1LMNAUSP2ALDH1A1GAA
SCHEMBL26932130 0.81 ALDH1A1 (0.40) TDP1LMNAUSP2ALDH1A1GAA

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-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed