SCHEMBL8343203

SCHEMBL8343203

CCC(C)CCC1(c2ccccc2)CC(O)=C(SCc2cc(C)ccc2C)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 8/20 0.41
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 5/20 0.33
LDHB P07195 2/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6607582 0.92 LDHA (0.42) LDHAHTTKDM4ETDP1MEN1
SCHEMBL6603142 0.85 LDHA (0.41) LDHAHTTKDM4ETDP1MEN1
SCHEMBL6607008 0.75 LDHA (0.54) LDHALDHB
SCHEMBL7451110 0.74 LDHA (0.41) LDHALDHBLMNA
SCHEMBL6606214 0.74 LDHA (0.43) LDHAHTTMEN1KMT2AMAPT
SCHEMBL6604999 0.73 LDHA (0.42) LDHATDP1LDHB
SCHEMBL6606818 0.72 LDHA (0.43) LDHAKDM4ETDP1MEN1KMT2A
SCHEMBL6603774 0.72 LDHA (0.48) LDHAKMT2ALDHB
SCHEMBL6607615 0.72 LDHA (0.44) LDHALDHB
SCHEMBL6608000 0.71 LDHA (0.53) LDHALDHB

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-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed