SCHEMBL11164591

SCHEMBL11164591

S=[C]CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 3/20 0.39
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
DAO P14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
METAP1 P53582 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL2704009 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDALDH1A1METAP1
SCHEMBL911042 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDALDH1A1METAP1
SCHEMBL8099140 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL1857079 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL1044132 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL235643 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL9203294 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL31323884 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL5617552 0.73 CYP1A2 (0.58) CYP1A2SIGMAR1HPGDMAPTKDM4E
SCHEMBL11407095 0.73 CYP1A2 (0.58) CYP1A2SIGMAR1HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed