SCHEMBL10985993

SCHEMBL10985993

CCCCc1cc(C)c(O)c(-c2ccccc2)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.45
MAOA P21397 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
TYR P14679 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PSMB5 P28074 1/20 0.38
CNR2 P34972 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR8 Q9NR97 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL28973526 0.83 GCGR (0.41) GCGRMAOADCTPP1TYRPSMB5
SCHEMBL10985995 0.82 GCGR (0.45) GCGRDCTPP1TYRALDH1A1PSMB5
SCHEMBL5589825 0.80 CNR2 (0.41) GCGRDCTPP1ALDH1A1CNR2ESR1
SCHEMBL2868213 0.79 GCGR (0.40) GCGRDCTPP1TYRALDH1A1CNR2
SCHEMBL1022203 0.78 ESR1 (0.41) MAOATYRCNR2ESR1ESR2
SCHEMBL760580 0.78 GCGR (0.47) GCGRDCTPP1TYRCNR2ESR1
SCHEMBL28423803 0.78 GCGR (0.50) GCGRTYRALDH1A1CNR2ESR1
SCHEMBL5589592 0.78 GCGR (0.46) GCGRDCTPP1ALDH1A1CNR2HPGD
SCHEMBL28561522 0.78 GCGR (0.46) GCGRDCTPP1PSMB5TLR8HSD11B1
SCHEMBL324416 0.77 GCGR (0.46) GCGRDCTPP1TYRALDH1A1CNR2

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-116262105-A Voriconazole dry suspension and preparation method thereof 北京万全德众医药生物技术有限公司 2023-06-16 CN disclosed
US-4562115-A MALEIC ANHYDRIDE-MODIFIED POLYBUTADIENE SIZING THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-12-31 US disclosed
US-4537917-A MALEIC ANHYDRIDE ADDUCT OF POLYBUTADIENE THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-08-27 US disclosed
US-4524040-A ADDUCT OF MALEIC ANHYDRI-DE WITH POLYBUTADIENE THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-06-18 US disclosed