SCHEMBL10734584

SCHEMBL10734584

C=CCCC(=O)CCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.54
FAAH O00519 5/20 0.52
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TERT O14746 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
PTPN1 P18031 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11743168 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL11745435 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL11740658 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL9345659 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL17629047 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL11749087 1.00 MAPT (0.57) MAPTKMT2ATSHRFAAHCES2
SCHEMBL14654918 0.98 MAPT (0.54) MAPTKMT2ATSHRFAAHCES2
SCHEMBL25340115 0.92 TSHR (0.67) MAPTKMT2ATSHRFAAHTERT
SCHEMBL9513739 0.92 TSHR (0.67) MAPTKMT2ATSHRFAAHTERT
SCHEMBL9015415 0.92 TSHR (0.67) MAPTKMT2ATSHRFAAHTERT

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-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 US disclosed