SCHEMBL5614130

SCHEMBL5614130

CC12CC3(C)CC(C(=O)Cl)(C1)CC(C(=O)Cl)(C2)C3

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3314452 0.97 PKM (0.56) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL2710446 0.88 PKM (0.48) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL9143630 0.83 SMN1; SMN2 (0.31) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1361743 0.83 SMN1; SMN2 (0.31) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7735003 0.76 PKM (0.56) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL2745710 0.76 PKM (0.56) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL3318267 0.75 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALOX12GAA
SCHEMBL14064599 0.74 PKM (0.54) PKMRAB9ATSHRHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL5614131 0.74 PKM (0.54) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL5082217 0.72 GRM1 (0.41) PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917396-A Novel compound for light-emitting element and organic light-emitting element comprising same 东进世美肯株式会社 2024-04-23 CN disclosed
WO-2007094746-A1 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID DIALKYL ESTERS, A METHOD FOR THE SYNTHESIS THEREOF AND METHOD FOR SYNTHESISING A 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID IN THE FORM OF AN INTERMEDIATE PRODUCT GOLOVKO LEONID VLADIMIROVICH (UA) 2007-08-23 WO disclosed
US-6455666-B1 POLYMERIZATION OF ADAMANTANE DICARBOXY AND DIHYDROXY DERIVATIVES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-24 US disclosed
US-20020042496-A1 Novel polyesters and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-11 US disclosed