SCHEMBL29501396

SCHEMBL29501396

CC(=O)N1CCC(Nc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.56
MAPT P10636 1/20 0.51
PTPN1 P18031 2/20 0.51
EPHX2 P34913 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GRIK1 P39086 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.44
APEX1 P27695 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL23684061 1.00 PRMT5 (0.56) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL29501397 1.00 PRMT5 (0.56) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL23684408 0.92 PRMT5 (0.49) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL644335 0.87 PRMT5 (0.60) PRMT5MAPTEPHX2KDM4ELMNA
SCHEMBL25386374 0.87 PRMT5 (0.54) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL15829967 0.83 EPHX2 (0.54) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL17560246 0.83 MAPT (0.63) PRMT5MAPTEPHX2
SCHEMBL17572113 0.83 ALDH1A1 (0.61) MAPTPTPN1EPHX2KDM4ELMNA
SCHEMBL23684649 0.83 PRMT5 (0.53) PRMT5MAPTPTPN1EPHX2KDM4E
SCHEMBL29817831 0.81 MEN1 (0.52) MAPTKDM4ELMNAGRIK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116113626-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-05-12 CN disclosed
WO-2022048631-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-03-10 WO disclosed