SCHEMBL11048995

SCHEMBL11048995

CC(C)(c1ccccc1)C(Oc1ccccc1O)(C(=O)O)C(C)(C)c1ccccc1.O=[Ti](O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 4/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 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
SCHEMBL15023101 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10MAPTKMT2A
SCHEMBL646990 0.82 PPARG (0.38) ALDH1A1MAPTKMT2AKCNN4CYP2C19
SCHEMBL8515671 0.75 PPARG (0.41) ALDH1A1MAPTKMT2AKCNN4CYP2C19
SCHEMBL9359773 0.74 TSHR (0.48) HSD11B1HSD17B3ALDH1A1KDM4EHSD17B10
SCHEMBL28761122 0.73 TSHR (0.44) HSD11B1HSD17B3ALDH1A1KDM4EHSD17B10
SCHEMBL27210420 0.71 ALDH1A1 (0.52) HSD11B1HSD17B3ALDH1A1KDM4EHSD17B10
SCHEMBL648770 0.71 PPARG (0.39) ALDH1A1MAPTKMT2AKCNN4CYP2C19
SCHEMBL9797403 0.70 PPARG (0.38) ALDH1A1MAPTKMT2AKCNN4CYP2C19
SCHEMBL3022905 0.70 TSHR (0.40) HSD11B1HSD17B3ALDH1A1KDM4EHSD17B10
SCHEMBL27951968 0.67 CA2 (0.46) HSD11B1HSD17B3ALDH1A1KDM4EHSD17B10

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-4444850-A Magnetic recording medium with titanate coupling agent FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 US claimed