SCHEMBL5246594

SCHEMBL5246594

CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
CYP1A2 P05177 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
FFAR3 O14843 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
UGT2B7 P16662 1/20 0.32
SLC9A1 P19634 1/20 0.32

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
SCHEMBL11260869 1.00 APLNR (0.41) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL3385056 1.00 APLNR (0.41) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL9862088 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL359379 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL9862146 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL9862392 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL9909013 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
SCHEMBL9909003 0.88 APLNR (0.35) APLNRCYP1A2KDM4ECYP2D6MAPT
Hydrochloric Acid SCHEMBL11138045 0.86 APLNR (0.33) APLNRCYP1A2KDM4ECYP2D6MAPT
Hydrochloric Acid SCHEMBL11136901 0.86 APLNR (0.33) APLNRCYP1A2KDM4ECYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178814-A1 METHOD FOR PREPARING INTERMEDIATE OF PAXLOVID 杭州国瑞生物科技有限公司 2023-09-28 WO claimed
CN-114634410-B Preparation method of paciclovir intermediate 杭州国瑞生物科技有限公司 2023-05-23 CN claimed
CN-114634410-A Preparation method of intermediate of pasiclovir 杭州国瑞生物科技有限公司 2022-06-17 CN claimed
CN-117384082-A Synthesis method of 6, 6-dimethyl-3-azabicyclo [3.1.0] hexane 杭州国瑞生物科技有限公司 2024-01-12 CN disclosed
WO-2023178814-A1 METHOD FOR PREPARING INTERMEDIATE OF PAXLOVID 杭州国瑞生物科技有限公司 2023-09-28 WO disclosed
WO-2023178814-A1 METHOD FOR PREPARING INTERMEDIATE OF PAXLOVID 杭州国瑞生物科技有限公司 2023-09-28 WO disclosed
CN-114634410-B Preparation method of paciclovir intermediate 杭州国瑞生物科技有限公司 2023-05-23 CN disclosed
CN-114634410-A Preparation method of intermediate of pasiclovir 杭州国瑞生物科技有限公司 2022-06-17 CN disclosed
CN-114634410-A Preparation method of intermediate of pasiclovir 杭州国瑞生物科技有限公司 2022-06-17 CN disclosed
EP-1138819-B1 Fiber product treating agents KAO CORP (JP) 2007-09-12 EP disclosed
US-6660044-B2 Wrinkle resistance KAO CORPORATION (JP) 2003-12-09 US disclosed
EP-1197204-A1 DEODORANTS Kao Corporation (JP) 2002-04-17 EP disclosed
US-20010037529-A1 Fiber product-treating agents KAO CORPORATION (JP) 2001-11-08 US disclosed
EP-1138819-A2 Fiber product treating agents KAO CORPORATION (JP) 2001-10-04 EP disclosed
EP-0041283-B1 PROCESS FOR THE PREPARATION OF DIHALOMETHYLENE-LACTONES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-07-24 EP disclosed