SCHEMBL7438829

SCHEMBL7438829

COC(=O)c1ccc(NCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 3/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 1/20 0.57
AGTR1 P30556 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HKDC1 Q2TB90 1/20 0.46
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL1688815 0.88 POLB (0.47) ALDH1A1RAB9AHPGDNPC1AGTR1
SCHEMBL846596 0.86 MAPT (0.44) ALDH1A1RAB9AHPGDNPC1AGTR1
Hydrochloric Acid SCHEMBL1624734 0.83 ALDH1A1 (0.64) ALDH1A1RAB9AHPGDNPC1AGTR1
SCHEMBL9135725 0.83 MAPT (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7429994 0.82 CASR (0.52) ALDH1A1RAB9AHPGDNPC1AGTR1
SCHEMBL1039226 0.82 MAPT (0.47) ALDH1A1AGTR1MAPTMEN1KMT2A
SCHEMBL5807704 0.81 POLB (0.42) ALDH1A1RAB9AHPGDNPC1AGTR1
SCHEMBL9135786 0.81 MAPT (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8299387 0.81 FPR2 (0.47) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL18740367 0.81 CTNNB1 (0.46) ALDH1A1RAB9ANPC1SMN1; 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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed