SCHEMBL7174341

SCHEMBL7174341

CC(C)OC(C(=O)O)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
LDHA P00338 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
FPR2 P25090 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL11272041 0.82 MEN1 (0.51) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL11442181 0.79 KMT2A (0.40) LMNASMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL11596882 0.77 LDHA (0.38) ALDH1A1LMNAKMT2AMEN1NPSR1
SCHEMBL11785065 0.75 CYP3A4 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL11597947 0.72 MEN1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9966556 0.70 CYP2D6 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL27998567 0.69 HDAC1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL897098 0.69 KMT2A (0.43) SMN1; SMN2KMT2AMEN1FPR2MAPT
SCHEMBL18982634 0.69 MEN1 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7361290 0.69 MEN1 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449975-B1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1997-04-23 EP claimed
EP-0955331-B1 Self-water dispersible particle made of biodegradable polyester and process for the preparation thereof DAINIPPON INK & CHEMICALS (JP) 2003-09-10 EP disclosed
US-6190773-B1 HYDROPHOBIC CORE MATERIAL ENCAPSULATED THEREIN EXCELLENT IN GRADUAL RELEASABILITY SUCH AS PESTICIDE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-02-20 US disclosed
EP-0955331-A2 Self-water dispersible particle made of biodegradable polyester and process for the preparation thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-11-10 EP disclosed
EP-0669078-A1 Low ecotoxic emulsifiable concentrate formulations of pesticides MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1995-08-30 EP disclosed
US-4220663-A Combating pests with benzyl phenyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4145439-A NEMATOCIDES, FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4048315-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-3962457-A Methods of killing mites using S-β-naphthylmethyl-N,N-dimethylthiolcarbamate KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-06-08 US disclosed