SCHEMBL11328951

SCHEMBL11328951

c1ccc(-c2ccc3oc(Cc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LIPG Q9Y5X9 1/20 0.57
FAAH O00519 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
AAK1 Q2M2I8 4/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
AKR1B1 P15121 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 2/20 0.45

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
SCHEMBL22042996 0.87 GAA (0.59) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL5401038 0.87 GAA (0.59) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL5759355 0.87 GAA (0.59) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL30612619 0.87 GAA (0.59) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL5396501 0.87 GAA (0.59) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL4905806 0.84 LOXL2 (0.64) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL27511631 0.84 GAA (0.56) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL11336489 0.83 AKR1B1 (0.61) GAAL3MBTL1LIPGFAAHAAK1
SCHEMBL30358383 0.83 GAA (0.55) GAAL3MBTL1LIPGFAAHSMN1; SMN2
SCHEMBL28318401 0.83 GAA (0.55) GAAL3MBTL1LIPGFAAHSMN1; SMN2

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-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed