SCHEMBL11375879

SCHEMBL11375879

COc1ccc(C(=O)[C@H]2C[C@H]2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
KMO O15229 2/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL11375878 1.00 GAA (0.61) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL1373430 0.90 ALDH1A1 (0.61) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL11370111 0.80 KMO (0.57) ALDH1A1KMT2ACA1CA2KMO
SCHEMBL11370109 0.80 KMO (0.57) ALDH1A1KMT2ACA1CA2KMO
SCHEMBL2992502 0.80 NPC1 (0.69) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL2992505 0.80 NPC1 (0.69) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL2992510 0.80 NPC1 (0.69) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL6995755 0.79 ALDH1A1 (0.65) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL11374054 0.77 KMO (0.58) ALDH1A1KMOCES2CES1MAPT
SCHEMBL8775309 0.77 KMO (0.58) ALDH1A1KMOCES2CES1MAPT

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-4271163-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed