SCHEMBL11802408

SCHEMBL11802408

CCCCCc1nnnn1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7512352 0.98 KDM4C (0.47) KDM4CALDH1A1HPGD
SCHEMBL28695451 0.88 KDM4C (0.51) KDM4CALDH1A1HPGDHTTMAPK1
SCHEMBL7511517 0.81 MAPK1 (0.60) ALDH1A1ATMMAPK1
SCHEMBL10681242 0.80 SCD (0.44) ALDH1A1HTT
SCHEMBL4135826 0.80 KDM4C (0.53) KDM4CALDH1A1HPGDMAPK1
SCHEMBL9602466 0.80 KDM4C (0.53) KDM4CALDH1A1HPGDMAPK1
SCHEMBL10737926 0.79 HTT (0.33) HTTCYP2C19
SCHEMBL4404245 0.79 ALDH1A1 (0.41) ALDH1A1HTTATMSMN1; SMN2
SCHEMBL10973530 0.78 NAALAD2 (0.41) ALDH1A1HTT
SCHEMBL28691029 0.78 NAALAD2 (0.41) ALDH1A1HTT

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-3962272-A 1H-TETRAZOLE-1-ACETATE ESTERS AND ACIDS AND PROCESS THEREFOR ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed