SCHEMBL11723955

SCHEMBL11723955

COc1ccc(COc2ccc(C(O)c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.57
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.54
APP P05067 5/20 0.54
MAOB P27338 1/20 0.53
MEN1 O00255 1/20 0.52
BCHE P06276 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL477506 0.89 LMNA (0.63) RAB9ASMN1; SMN2MAPTMAOBBCHE
SCHEMBL10543846 0.87 MAOB (0.61) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL3239740 0.87 LMNA (0.66) RAB9ASMN1; SMN2MAPTMAOBBCHE
SCHEMBL23882779 0.85 APP (0.51) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL23882781 0.85 APP (0.51) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL477466 0.85 ACP3 (0.61) NPC1RAB9AMAPTKMT2A
SCHEMBL477389 0.85 ACP3 (0.61) NPC1RAB9AMAPTKMT2A
SCHEMBL477621 0.85 ACP3 (0.61) NPC1RAB9AMAPTKMT2A
SCHEMBL553770 0.83 APP (0.69) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL13140291 0.82 FFAR1 (0.81) FFAR1NPC1POLBRAB9ASMN1; 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-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed