SCHEMBL10405698

SCHEMBL10405698

CC(C)(C)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.48
LTA4H P09960 3/20 0.45
TSHR P16473 2/20 0.45
KIF11 P52732 1/20 0.44
MAPK1 P28482 1/20 0.42
RIPK1 Q13546 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
KCNA3 P22001 1/20 0.38
PPARG P37231 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
PPARA Q07869 2/20 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
SCHEMBL93074 1.00 CA4 (0.48) CA4LTA4HTSHRKIF11MAPK1
Phosphine SCHEMBL20897416 0.97 CA4 (0.46) CA4LTA4HTSHRKIF11MAPK1
SCHEMBL3851931 0.92 CA4 (0.42) CA4LTA4HTSHRKIF11MAPK1
SCHEMBL2733315 0.90 LTA4H (0.57) LTA4HTSHRKIF11RIPK1ALDH1A1
Ethylene Glycol SCHEMBL6559749 0.88 ALDH1A1 (0.46) CA4LTA4HTSHRKIF11RIPK1
SCHEMBL7861289 0.85 NPC1 (0.43) TSHRKIF11MAPK1RIPK1ALDH1A1
SCHEMBL26746 0.84 SLC6A2 (0.44) TSHRKIF11MAPK1RIPK1ALDH1A1
SCHEMBL22951133 0.84 MAPK1 (0.46) CA4LTA4HTSHRKIF11MAPK1
SCHEMBL1660600 0.82 CA4 (0.48) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL4224012 0.82 CA4 (0.48) CA4LTA4HTSHRMAPK1RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906555-A Silver halide color photographic material comprising specified couplers and anti-fading agents FUJI PHOTO FILM CO., LTD. (JP) 1990-03-06 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed