SCHEMBL7437962

SCHEMBL7437962

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL7439165 0.89 ALDH1A1 (0.47) POLBLMNANPC1ALDH1A1KDM4E
SCHEMBL7440221 0.88 ALDH1A1 (0.47) LMNANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL7431057 0.87 L3MBTL1 (0.42) LMNANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL7438986 0.87 SMN1; SMN2 (0.50) LMNANPC1ALDH1A1MAPTTP53
SCHEMBL7431708 0.86 FAAH (0.45) LMNAALDH1A1KDM4EMAPTCYP2C9
SCHEMBL7431440 0.85 KDM4E (0.48) LMNANPC1ALDH1A1KDM4EMAPT
SCHEMBL7431439 0.85 KDM4E (0.48) LMNANPC1ALDH1A1KDM4EMAPT
SCHEMBL7428109 0.84 LMNA (0.52) POLBLMNANPC1MAPTTP53
SCHEMBL7434127 0.83 ALOX5 (0.47) POLBLMNANPC1ALDH1A1MAPT
SCHEMBL7439160 0.82 NPC1 (0.42) LMNANPC1ALDH1A1KDM4EMAPT

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