SCHEMBL29941102

SCHEMBL29941102

Nc1c(C(=O)O)ccc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
CASP7 P55210 2/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 7/20 0.45
TSHR P16473 3/20 0.45
CASP1 P29466 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 5/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
CYP3A4 P08684 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 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
SCHEMBL2408682 1.00 DPP4 (0.52) DPP4CASP7G6PDCASP6ALDH1A1
SCHEMBL9276248 0.84 MAPT (0.39) DPP4CASP7G6PDCASP6ALDH1A1
SCHEMBL10316048 0.83 ALDH1A1 (0.49) DPP4CASP7G6PDCASP6ALDH1A1
SCHEMBL18980394 0.83 ALDH1A1 (0.48) DPP4CASP7G6PDCASP6ALDH1A1
SCHEMBL29860864 0.82 SELL (0.56) CASP7G6PDCASP6ALDH1A1TSHR
SCHEMBL26963264 0.82 SELL (0.56) CASP7G6PDCASP6ALDH1A1TSHR
SCHEMBL3667246 0.81 TSHR (0.52) DPP4CASP7G6PDCASP6ALDH1A1
SCHEMBL10533170 0.80 SELL (0.60) DPP4ALDH1A1TSHRCASP1TP53
SCHEMBL7697637 0.78 SELL (0.64) CASP7G6PDCASP6ALDH1A1TSHR
SCHEMBL4069345 0.78 DPP4 (0.56) DPP4ALDH1A1TSHRCASP1TP53

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed