SCHEMBL1361076

SCHEMBL1361076

C=C(C)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SLC6A2 P23975 2/20 0.42
PKM P14618 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
ITGA5 P08648 1/20 0.42

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
SCHEMBL167439 0.83 FURIN (0.43) HTTTSHRMAPT
SCHEMBL4375606 0.81 PARP1 (0.56) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL1794480 0.81 PARP1 (0.56) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL3096979 0.81 PARP1 (0.56) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL6252421 0.80 FURIN (0.41) HTTKDM4EALDH1A1TSHRMAPT
SCHEMBL17421702 0.80 FURIN (0.41) HTTKDM4EALDH1A1TSHRMAPT
SCHEMBL30834584 0.80 FURIN (0.41) HTTKDM4EALDH1A1TSHRMAPT
SCHEMBL20007054 0.79 PARP1 (0.55) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL14537019 0.79 PARP1 (0.55) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL674193 0.79 PARP1 (0.54) PARP1HTTKDM4ESMN1; SMN2MEN1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292162-B Preparation method of 3-chloro-beta-methylene phenethyl alcohol compound and intermediate thereof 江苏广域化学有限公司 2023-11-03 CN claimed
CN-114292162-A Preparation methods of 3-chloro-beta-methylene phenethyl alcohol compound and intermediate thereof 江苏广域化学有限公司 2022-04-08 CN claimed
CN-112592612-B Low-VOC acrylic resin coating and preparation method and application thereof 奔腾漆业(上海)有限公司 2022-03-25 CN claimed
CN-114182271-A Electrochemical synthesis method of allyl sulfone compound 上海应用技术大学 2022-03-15 CN claimed
CN-111454136-A Catalyst for catalyzing hydroformylation reaction of gem-disubstituted aromatic olefin and preparation method and application thereof 中国科学院上海高等研究院 2020-07-28 CN claimed
CN-103943805-A Lithium ion secondary battery and diaphragm thereof NINGDE AMPEREX TECHNOLOGY LTD 2014-07-23 CN claimed
US-4344906-A VINYLAROMATIC, MALEIC ANHYDRIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-17 US claimed
JP-5125000-A None JP disclosed
CN-114182271-B Electrochemical synthesis method of allyl sulfone compound 上海应用技术大学 2024-06-28 CN disclosed
CN-117534539-B Preparation method of 2- (3' -chloro-phenyl) -propylene-1-alcohol 河北凡克新材料有限公司 2024-06-11 CN disclosed
CN-117534539-B Preparation method of 2- (3' -chloro-phenyl) -propylene-1-alcohol 河北凡克新材料有限公司 2024-06-11 CN disclosed
CN-117534539-B Preparation method of 2- (3' -chloro-phenyl) -propylene-1-alcohol 河北凡克新材料有限公司 2024-06-11 CN disclosed
CN-117534539-A Preparation method of 2- (3' -chloro-phenyl) -propylene-1-alcohol 河北凡克新材料有限公司 2024-02-09 CN disclosed
US-4629492-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
US-4344906-A VINYLAROMATIC, MALEIC ANHYDRIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-17 US disclosed
US-4204075-A PURIFICATION PENNWALT CORPORATION (US) 1980-05-20 US disclosed
US-4133835-A REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE PENNWALT CORPORATION (US) 1979-01-09 US disclosed
US-4086081-A PREEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1978-04-25 US disclosed
US-4085165-A ISOCYANATE PREPOLYMER, VINYL COMPOUND, POLYAMINE OR POLYETHER CURING AGENT BRIDGESTONE TIRE CO., LTD. (JA) 1978-04-18 US disclosed
US-3932573-A Process for producing glass fiber reinforced injection molding compounds ETHYL CORPORATION (US) 1976-01-13 US disclosed