SCHEMBL14735528

SCHEMBL14735528

CC(CC(N)=O)c1ccc(C(=O)O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ACE2 Q9BYF1 4/20 0.43
GRM1 Q13255 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMO O15229 2/20 0.40

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
SCHEMBL14735298 0.83 TDP1 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL14735229 0.82 LMNA (0.44) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL12583708 0.79 LMNA (0.56) TSHRACE2GRM1KMT2AMEN1
SCHEMBL9185164 0.79 LMNA (0.56) TSHRACE2GRM1KMT2AMEN1
SCHEMBL7598306 0.79 TSHR (0.59) TSHRACE2GRM1KMT2AMEN1
Hydrochloric Acid SCHEMBL986200 0.78 LMNA (0.55) TSHRACE2GRM1KMT2AMEN1
Hydrochloric Acid SCHEMBL6557925 0.78 LMNA (0.55) TSHRACE2GRM1KMT2AMEN1
Hydrochloric Acid SCHEMBL986198 0.78 LMNA (0.55) TSHRACE2GRM1KMT2AMEN1
SCHEMBL5988715 0.77 ANPEP (0.49) TSHRKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20768593 0.73 TSHR (0.52) TSHRACE2GRM1KMT2AMEN1

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
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed