SCHEMBL29746540

SCHEMBL29746540

COC(=O)CC1(c2ccccc2)CCc2ccccc2N1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AVPR2 P30518 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL26613540 0.87 NOTUM (0.39) NOTUMMEN1KMT2AAVPR2
SCHEMBL29746333 0.87 NOTUM (0.39) NOTUMMEN1KMT2AAVPR2
SCHEMBL29746165 0.82 SMN1; SMN2 (0.39) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL29746279 0.73 NOTUM (0.42) NOTUMMEN1KMT2ALMNAALDH1A1
SCHEMBL30542595 0.71 MEN1 (0.40) MEN1KMT2AAVPR2
SCHEMBL26613459 0.71 MEN1 (0.40) MEN1KMT2AAVPR2
SCHEMBL28668775 0.71 NOTUM (0.44) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL29746306 0.71 SMN1; SMN2 (0.41) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL26802173 0.68 MEN1 (0.41) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL2255789 0.67 PNMT (0.42) MEN1KMT2AGAALMNAALDH1A1

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-2022138888-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF 東レ株式会社 2022-06-30 WO disclosed