SCHEMBL11041574

SCHEMBL11041574

CCC(=O)c1cc(Br)cc(C(=O)O)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.65
HMGCR P04035 1/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.39
TPMT P51580 1/20 0.39
PIM1 P11309 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL10995824 0.85 HSD17B10 (0.46) HSD17B10HMGCRL3MBTL1KDM4EALDH1A1
SCHEMBL10994734 0.83 KDM4E (0.54) HSD17B10HMGCRL3MBTL1AKR1C4AKR1C3
SCHEMBL27803206 0.83 HMGCR (0.51) HSD17B10HMGCRL3MBTL1KDM4EALDH1A1
SCHEMBL7813490 0.79 HSD17B10 (1.00) HSD17B10LCKFYNAKR1C4AKR1C3
SCHEMBL10712789 0.77 AKR1C3 (0.58) HSD17B10HMGCRAKR1C4AKR1C3AKR1C2
SCHEMBL30745046 0.77 HSD17B10 (0.71) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL8545309 0.77 HSD17B10 (0.71) HSD17B10LCKFYNAKR1C4AKR1C3
SCHEMBL1188761 0.77 HSD17B10 (0.71) HSD17B10LCKFYNKDM4EALDH1A1
SCHEMBL10355393 0.77 HSD17B10 (0.71) HSD17B10LCKFYNAKR1C4AKR1C3
SCHEMBL8980655 0.76 APEX1 (0.49) HSD17B10HMGCRKDM4EALDH1A1HPGD

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-0105484-A2 3-Propionylsalicyclic acid derivatives and process for the preparation of the same Yamamoto Chemical Industrial Company, Limited (JP) 1984-04-18 EP disclosed