SCHEMBL8377642

SCHEMBL8377642

COc1ccc(C=C(C(=O)O)C(C)C)cc1.COc1ccc(C=CC(=O)OC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
TRPM8 Q7Z2W7 3/20 0.49
RAB9A P51151 1/20 0.47
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
F3 P13726 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GSK3B P49841 2/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL154420 0.86 HTT (0.70) HTTTRPM8RAB9ATHRBATM
SCHEMBL600597 0.86 HTT (0.70) HTTTRPM8RAB9ATHRBATM
SCHEMBL12608600 0.79 HTT (0.67) HTTTRPM8RAB9ATHRBATM
SCHEMBL490213 0.79 THRB (0.50) TRPM8THRBATMF3SMN1; SMN2
SCHEMBL4879128 0.79 THRB (0.50) TRPM8THRBATMF3SMN1; SMN2
SCHEMBL4906426 0.79 THRB (0.50) TRPM8THRBATMF3SMN1; SMN2
SCHEMBL10389595 0.78 HTT (0.56) HTTTRPM8RAB9ALMNAF3
SCHEMBL10389594 0.78 HTT (0.56) HTTTRPM8RAB9ALMNAF3
SCHEMBL14679431 0.75 HTT (0.62) HTTRAB9ATHRBATMLMNA
SCHEMBL18364671 0.74 HTT (0.61) HTTTRPM8RAB9ATHRBATM

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
EP-0901512-A1 DETERGENT COMPOSITION UNILEVER PLC (GB) 1999-03-17 EP disclosed
WO-1997044422-A1 DETERGENT COMPOSITION UNILEVER PLC (GB) 1997-11-27 WO disclosed