SCHEMBL11624923

SCHEMBL11624923

O=C(O)COc1ccccc1/C=C/C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
LMNA P02545 3/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 2/20 0.66
BCHE P06276 1/20 0.66
PTGDR2 Q9Y5Y4 1/20 0.62
POLB P06746 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PKM P14618 1/20 0.61
BLM P54132 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
ATM Q13315 1/20 0.59
MAOB P27338 3/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
CYP3A4 P08684 2/20 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
SCHEMBL11624928 1.00 MAPT (0.66) MAPTLMNANPC1RAB9ABCHE
SCHEMBL20339063 0.86 MAPT (0.68) MAPTLMNANPC1RAB9ABCHE
SCHEMBL8330997 0.85 MAPT (0.80) MAPTLMNANPC1RAB9ABCHE
SCHEMBL29772318 0.85 MAPT (0.66) MAPTLMNANPC1RAB9ABCHE
SCHEMBL8330993 0.85 MAPT (0.80) MAPTLMNANPC1RAB9ABCHE
SCHEMBL27746894 0.84 PTGER1 (0.72) MAPTLMNANPC1RAB9ABCHE
SCHEMBL27746895 0.84 PTGER1 (0.72) MAPTLMNANPC1RAB9ABCHE
SCHEMBL29772316 0.84 MAPT (0.64) MAPTLMNANPC1RAB9ABCHE
SCHEMBL9368112 0.83 MAPT (0.63) MAPTLMNANPC1RAB9ABCHE
SCHEMBL9368102 0.83 MAPT (0.63) MAPTLMNANPC1RAB9ABCHE

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-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed