SCHEMBL29952565

SCHEMBL29952565

CC(=O)c1ccc2c(O)c(C(=O)O)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.41
AKR1C2 P52895 10/20 0.41
FGFR1 P11362 1/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
SLC2A1 P11166 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GABRP O00591 1/20 0.39

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
SCHEMBL27523733 0.86 HSD17B10 (0.39) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL5766222 0.83 ALDH1A1 (0.47) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL27903036 0.82 CA12 (0.44) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL5767408 0.79 KEAP1 (0.42) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL2724263 0.79 HTT (0.45) AKR1C3AKR1C2HPGDHSD17B10THRB
SCHEMBL30592903 0.79 CYP1A2 (0.49) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL1610495 0.79 CYP1A2 (0.49) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL1617941 0.79 HSD17B10 (0.41) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL11061534 0.79 TP53 (0.43) HPGDHSD17B10THRBCYP2C9TSHR
SCHEMBL1041518 0.79 LMNA (0.54) HPGDHSD17B10MAPTKDM4EGABRA1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed