SCHEMBL23229043

SCHEMBL23229043

CCOc1cc(OC)ccc1CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
KDM4E B2RXH2 4/20 0.50
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
LCK P06239 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 4/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL23229241 0.88 HSD17B10 (0.59) HSD17B10MTNR1AMTNR1BKDM4EPTGS1
SCHEMBL17967503 0.88 HSD17B10 (0.77) HSD17B10MTNR1AMTNR1BKDM4EPTGS1
SCHEMBL30831943 0.87 HSD17B10 (0.75) HSD17B10KDM4EPTGS1AKR1C3AKR1C2
SCHEMBL1097902 0.87 HSD17B10 (0.75) HSD17B10KDM4EPTGS1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2527027 0.85 HSD17B10 (0.73) HSD17B10KDM4EPTGS1AKR1C3AKR1C2
SCHEMBL23228992 0.85 MTNR1A (0.49) HSD17B10MTNR1AMTNR1BKDM4EPOLB
SCHEMBL24075695 0.83 APLNR (0.50) HSD17B10MTNR1AMTNR1BKDM4EKMT2A
Acetic Acid SCHEMBL27488564 0.83 MTNR1A (0.50) HSD17B10MTNR1AMTNR1BKDM4EPOLB
SCHEMBL5122876 0.82 MTNR1A (0.57) HSD17B10MTNR1AMTNR1BKDM4EPOLB
SCHEMBL24200358 0.81 HSD17B10 (0.55) HSD17B10MTNR1AMTNR1BKDM4EPTGS1

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed