SCHEMBL9923788

SCHEMBL9923788

CC(CO)Cc1c(O)cccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
TSHR P16473 2/20 0.38
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
ADAMTS4 O75173 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 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
SCHEMBL27643856 0.83 TSHR (0.47) TRPA1GABRA1GABRB2GABRG2GABRB3
SCHEMBL6895101 0.79 GABRA1 (0.54) TRPA1GABRA1GABRB2GABRG2GABRB3
SCHEMBL9900871 0.79 LMNA (0.36) TSHRCA1CA2HPGDALDH1A1
SCHEMBL27744056 0.77 GABRA1 (0.41) TRPA1GABRA1GABRB2GABRG2GABRB3
SCHEMBL28256228 0.77 HSPA5 (0.48) TRPA1GABRA1GABRB2TSHRCA2
SCHEMBL765679 0.77 HSPA5 (0.48) TRPA1GABRA1GABRB2TSHRCA2
SCHEMBL7708166 0.76 LMNA (0.36) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL7111161 0.72 GABRA1 (0.42) GABRA1GABRB2TSHRHDAC4HDAC2
SCHEMBL2729699 0.72 HSD17B10 (0.41) TRPA1GABRA1GABRB2TSHRCA1
SCHEMBL23841325 0.71 GABRA1 (0.45) GABRA1GABRB2TSHRHPGDALDH1A1

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
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed