SCHEMBL7440221

SCHEMBL7440221

COc1cc(C(=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 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
SCHEMBL7437962 0.88 POLB (0.47) ALDH1A1CYP1A2KDM4EL3MBTL1TSHR
SCHEMBL7441435 0.87 L3MBTL1 (0.43) ALDH1A1CYP1A2KDM4EHTTL3MBTL1
SCHEMBL7440526 0.87 GAA (0.46) ALDH1A1HTTL3MBTL1KMT2AGAA
SCHEMBL7431440 0.86 KDM4E (0.48) ALDH1A1CYP1A2KDM4EMEN1CYP3A4
SCHEMBL7431439 0.86 KDM4E (0.48) ALDH1A1CYP1A2KDM4EMEN1CYP3A4
SCHEMBL7435319 0.85 EPHX1 (0.47) ALDH1A1MAPK1MEN1CYP2C19KMT2A
SCHEMBL7438480 0.84 LMNA (0.44) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL7439160 0.83 NPC1 (0.42) ALDH1A1KDM4EL3MBTL1TSHRLMNA
SCHEMBL7439165 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7438639 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2KDM4ETSHRHSD17B10

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed