SCHEMBL11159092

SCHEMBL11159092

O=CCCCn1cnnn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 4/20 0.38
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.36
THRB P10828 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
LTB4R Q15722 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
HMOX1 P09601 1/20 0.33
KCNJ1 P48048 1/20 0.32
GAA P10253 1/20 0.32
ALPG P10696 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
SCHEMBL4551080 0.92 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL2005547 0.87
SCHEMBL21111146 0.82 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL21111106 0.82 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL6042809 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL21111119 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL5773621 0.76
SCHEMBL4687305 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL724694 0.74
SCHEMBL2569457 0.73 CYP19A1 (0.36) HIF1ATSHR

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 8 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
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed