SCHEMBL10692313

SCHEMBL10692313

CCCCOc1cc(N(CC)CC)ccc1C1OC(=O)c2cc(N(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
ACHE P22303 2/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE5A O76074 2/20 0.34
FAAH O00519 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
GAA P10253 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL11073531 0.87 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1MAPTHPGD
SCHEMBL7453212 0.81 CYP19A1 (0.37) MAOBACHEALDH1A1L3MBTL1MAPT
SCHEMBL9850351 0.81 ALDH1A1 (0.41) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL11073520 0.80 ALDH1A1 (0.40) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL29055300 0.80 ALDH1A1 (0.40) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL11062345 0.79 ATM (0.47) MAOBALDH1A1L3MBTL1MAPTHPGD
SCHEMBL10689675 0.78 ALDH1A1 (0.39) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL338454 0.78 ALDH1A1 (0.41) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL1653589 0.78 ALDH1A1 (0.41) MAOBALDH1A1L3MBTL1MEN1MAPT
SCHEMBL11073178 0.78 CA2 (0.43) ALDH1A1L3MBTL1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US claimed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed