SCHEMBL14201680

SCHEMBL14201680

Cc1c(C)c(C(C)C)c(O)c(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.35
LDHB P07195 3/20 0.35
BCL2 P10415 3/20 0.34
MCL1 Q07820 3/20 0.34
ALB P02768 6/20 0.32
BCL2L1 Q07817 2/20 0.32
BCL2L2 Q92843 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 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
SCHEMBL23943247 0.89 LDHA (0.35) LDHALDHBBCL2MCL1ALB
SCHEMBL19972877 0.86 BCL2 (0.33) LDHALDHBBCL2MCL1BCL2L1
SCHEMBL5526052 0.82 BCL2 (0.34) LDHALDHBBCL2MCL1ALB
SCHEMBL9070220 0.82 BCL2 (0.34) LDHALDHBBCL2MCL1ALB
SCHEMBL19020514 0.80 LDHA (0.36) LDHALDHBBCL2MCL1ALB
SCHEMBL19730500 0.78 LDHA (0.37) LDHALDHBBCL2MCL1ALB
SCHEMBL19183569 0.78 BCL2 (0.32) LDHALDHBBCL2MCL1BCL2L1
SCHEMBL4967470 0.77 BCL2 (0.34) LDHALDHBBCL2MCL1ALB
SCHEMBL1242989 0.76 BCL2 (0.35) LDHALDHBBCL2MCL1ALB
SCHEMBL23739202 0.75 BCL2 (0.34) LDHALDHBBCL2MCL1ALB

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-1391194-B1 PREPARATION FOR HAIR AND/OR SCALP KANEKA CORP (JP) 2008-05-28 EP disclosed