SCHEMBL11419786

SCHEMBL11419786

CC(=O)OC1(Cc2ccccc2)C=CC=CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.39
ALDH1A1 P00352 7/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL21526675 0.87 CYP3A4 (0.36) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL21526667 0.83 THRB (0.33) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL7765472 0.82 KMT2A (0.36) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL21526693 0.75 ALDH1A1 (0.33) CYP3A4ALDH1A1LMNAMEN1MAPT
SCHEMBL18685990 0.75
SCHEMBL4216034 0.74 HSD11B1 (0.38) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL2160193 0.74 HSD11B1 (0.41) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL11520353 0.73 GAA (0.36) ALDH1A1HSD17B10TSHRHSD11B1KDM4E
SCHEMBL8954748 0.72 ALOX15 (0.31) ALOX15
SCHEMBL5284629 0.69 ALDH1A1 (0.39) CYP3A4ALDH1A1MEN1MAPTKMT2A

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-4199576-A DERIVATIVES OF SALICYCLIC ACID THE PROCTER & GAMBLE COMPANY (US) 1980-04-22 US disclosed