SCHEMBL5604932

SCHEMBL5604932

CC1=CC[C@@H](C(C)(C)c2ccccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
CES2 O00748 2/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.40
STAT3 P40763 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.39
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35

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
SCHEMBL5604988 1.00 LMNA (0.50) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL6254288 1.00 LMNA (0.50) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL7700315 0.89 LMNA (0.44) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL5604983 0.76 LMNA (0.51) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL5604930 0.76 LMNA (0.51) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL4354627 0.72 ALDH1A1 (0.41) LMNAALOX15ALDH1A1NPC1TSHR
SCHEMBL20740827 0.72 LMNA (0.62) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL3503694 0.70 LMNA (0.44) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL25380943 0.69 LMNA (0.57) LMNAALOX15CYP3A4CES2ALDH1A1
SCHEMBL12521324 0.69 LMNA (0.57) LMNAALOX15CYP3A4CES2ALDH1A1

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-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP claimed