SCHEMBL6983685

SCHEMBL6983685

COc1cc(CC(=O)CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.47
HTR4 Q13639 11/20 0.47
SIGMAR1 Q99720 1/20 0.47
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6987698 0.86 NPSR1 (0.45) ACHEHTR4SIGMAR1NPSR1MEN1
SCHEMBL2481341 0.80 HTR4 (0.66) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL6985165 0.79 TSHR (0.44) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL8132262 0.76 TAAR1 (0.51) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL6703732 0.75 HTR4 (0.58) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL7688094 0.72 HTR4 (0.61) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL6987576 0.72 TSHR (0.43) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL6698989 0.70 ACHE (0.46) ACHEHTR4SIGMAR1TSHRMEN1
SCHEMBL11480696 0.67 PTGDR2 (0.46) MEN1KMT2AHSD17B10
SCHEMBL6984542 0.67 KMT2A (0.65) TSHRMEN1KMT2AALDH1A1NPC1

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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed