SCHEMBL8080973

SCHEMBL8080973

CC(C)c1ccc2c(c1)C(C)CC(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 7/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH2 P05091 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 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
SCHEMBL7785869 0.77 GAA (0.36) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL8085752 0.76 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL28317314 0.75 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL8084528 0.75 MAPT (0.38) MAPTCRHBPCRHR2RECQL
SCHEMBL18714046 0.75 LTB4R (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12533401 0.75 LTB4R (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14047016 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL8080906 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL14384204 0.73 ALDH2 (0.41) HPGDGLAHSD17B10ALDH2KDM4E
SCHEMBL28718227 0.73 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ATDP1

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-1036792-A1 Novel fragrance compound QUEST INTERNATIONAL B.V. (NL) 2000-09-20 EP disclosed