SCHEMBL9516877

SCHEMBL9516877

CC(=CCO)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
BCL2L1 Q07817 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GSK3B P49841 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9516872 1.00 PTGS1 (0.47) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL10951770 1.00 PTGS1 (0.47) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL6493936 0.94 PTGS1 (0.43) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL6493938 0.94 PTGS1 (0.43) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL6493931 0.94 PTGS1 (0.43) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL14605001 0.83 PTGS1 (0.47) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL27616403 0.83 PTGS1 (0.47) PTGS1BCL2L1LMNAPOLBL3MBTL1
SCHEMBL11543307 0.82 SRD5A2 (0.53) PTGS1POLBMAPTTSHR
SCHEMBL11543309 0.82 SRD5A2 (0.53) PTGS1POLBMAPTTSHR
SCHEMBL6483760 0.81 RXRA (0.49) PTGS1GSK3BMAPK1

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed
US-4556409-A CONTROLLING SOYBEAN GROWTH EMERY INDUSTRIES INC. (US) 1985-12-03 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
US-4418202-A HERBICIDES, PESTICIDES EMERY INDUSTRIES, INC. (US) 1983-11-29 US disclosed
US-4380656-A PESTICIDES, HERBICIDES EMERY INDUSTRIES, INC. (US) 1983-04-19 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed
US-3969384-A Esters of cyclopropane alkanoic acids ZOECON CORPORATION (US) 1976-07-13 US disclosed