SCHEMBL10732018

SCHEMBL10732018

COC(=O)Cc1ccc2c(c1)C(=O)CCCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
HSP90AB1 P08238 1/20 0.38
CHEK1 O14757 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MET P08581 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1346356 0.92 ALDH1A1 (0.43) ALDH1A1GAAHTR1ASLC6A4GFER
SCHEMBL10732172 0.90 GRM5 (0.46) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL30523629 0.84 KMT2A (0.47) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL1344385 0.84 AKR1B1 (0.44) ALDH1A1HPGDNPSR1
SCHEMBL20766367 0.84 KMT2A (0.47) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL30730257 0.83 CTNNB1 (0.47) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL10593445 0.82 GRM5 (0.54) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL31409466 0.81 SMN1; SMN2 (0.51) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL11476808 0.79 MAOA (0.50) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL19926744 0.78 SMN1; SMN2 (0.57) ALDH1A1GAAGFERSMN1; SMN2MAPT

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-4701466-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTICOAGULANTS SYNTHELABO (FR) 1987-10-20 US disclosed