SCHEMBL7267299

SCHEMBL7267299

CCCCCCC(=O)CC(C)(C)CCC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
FAAH O00519 6/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
PLA2G4A P47712 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
TERT O14746 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 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
SCHEMBL8896261 0.84 KMT2A (0.50) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL2995746 0.82 KMT2A (0.53) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL2994225 0.82 KMT2A (0.56) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL8895698 0.80 TDP1 (0.52) TSHRMAPTKMT2AHSD17B10FABP4
SCHEMBL8897068 0.78 KMT2A (0.52) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL8096569 0.78 KMT2A (0.52) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL9177158 0.78 KMT2A (0.52) TSHRFAAHMAPTKMT2AHSD17B10
SCHEMBL23855776 0.76 TSHR (0.70) TSHRFAAHMAPTKMT2ATRPV1
SCHEMBL3200849 0.76 TSHR (0.70) TSHRFAAHMAPTKMT2ATRPV1
SCHEMBL3308698 0.76 TSHR (0.70) TSHRFAAHMAPTKMT2ATRPV1

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
EP-0328978-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-08-23 EP disclosed