SCHEMBL4813544

SCHEMBL4813544

CN1CC=C(c2ccccc2CSc2cccc3ccccc23)CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 1/20 0.38
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
IFNAR1 P17181 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL4904964 0.75 HTR6 (0.46) LMNAALDH1A1POLBNPY1RMAPK1
Formic Acid SCHEMBL4813546 0.74 CHAT (0.42) LMNAPOLB
SCHEMBL4824600 0.69 SLC6A4 (0.52) LMNAALDH1A1IFNAR1NPY1RMAPK1
SCHEMBL4824586 0.69 SLC6A4 (0.52) LMNAALDH1A1IFNAR1NPY1RMAPK1
SCHEMBL4822755 0.62 SLC6A4 (0.48) LMNAALDH1A1IFNAR1NPY1RMAPK1
SCHEMBL14027232 0.62 SLC6A2 (0.40) HPGDLMNAKMT2AALDH1A1MEN1
SCHEMBL3077714 0.60 MEN1 (0.61) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL4824477 0.60 OPRL1 (0.41) LMNAALDH1A1IFNAR1NPY1RMAPK1
SCHEMBL6057233 0.60 POLB (0.57) HPGDLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5658529 0.60 TDP1 (0.69) HPGDLMNAKMT2AALDH1A1MEN1

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-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed