SCHEMBL7794325

SCHEMBL7794325

CC(C)=CC=CC=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
RECQL P46063 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.38
PPARA Q07869 1/20 0.36
PTPN1 P18031 2/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HCAR2 Q8TDS4 2/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 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
SCHEMBL675215 0.89
SCHEMBL11456995 0.89
SCHEMBL10457293 0.89
SCHEMBL25333018 0.84 ALDH1A1 (0.50) ALDH1A1TSHRTDP1ALOX15RECQL
Bicarbonate SCHEMBL8900312 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL3503306 0.80 TSHR (0.61) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL32684929 0.80 TSHR (0.61) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2552092 0.80 TSHR (0.61) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2989833 0.80 TSHR (0.61) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2552093 0.80 TSHR (0.61) ALDH1A1TSHRTDP1ALOX15RECQL

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-0905118-B1 Unsaturated 6-tert-butyl-1,1-dimethylindane derivates substituted in the 4-position and their use in human and veterinary medicine as well as in cosmetics GALDERMA RES & DEV (FR) 2001-08-16 EP disclosed