SCHEMBL8537419

SCHEMBL8537419

O=C(Oc1cc(O)c(SCc2ccccc2)c(=O)o1)C(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.34
DAO P14920 3/20 0.34
FKBP1A P62942 2/20 0.34
CTSB P07858 2/20 0.34
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8537425 0.73 MEN1 (0.34) DAOCTSBPPARGCA12CA1
SCHEMBL8537422 0.73 ALDH1A1 (0.41) CA12CA1CA2CA4CA6
SCHEMBL11788874 0.69 DAO (0.43) DAOMAPTALDH1A1KMT2APKM
SCHEMBL6954786 0.68 SMN1; SMN2 (0.50) DAOPPARGCA12CA1CA2
SCHEMBL6954315 0.67 DAO (0.34) DAOPPARGMAPTPKMTSHR
SCHEMBL6958143 0.67 HTR2B (0.49) DAOPPARGCA12CA1CA2
SCHEMBL6956094 0.66 AKR1C3 (0.46) DAOMAPTALDH1A1KDM4EHPGD
SCHEMBL6961428 0.66 MEN1 (0.45) DAOCA12CA9MAPTALDH1A1
SCHEMBL8538469 0.65 ALOX5 (0.38) KDM4EHPGDKMT2ANPC1RAB9A
SCHEMBL6954509 0.65 NPC1 (0.47) DAOCA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed