SCHEMBL6996344

SCHEMBL6996344

O=C(OCC(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
CHRM2 P08172 3/20 0.51
CHRM4 P08173 3/20 0.51
KLK7 P49862 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL11092251 0.83 CYP1A2 (0.37) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL9522165 0.82 SRC (0.53) CYP1A2CYP2D6LMNASMN1; SMN2L3MBTL1
SCHEMBL10769502 0.81 MMP8 (0.43) CHRM1CHRM3CHRM2CYP1A2CYP2D6
SCHEMBL2866437 0.79 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL11462722 0.77 HTT (0.41) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL3806126 0.77 CYP1A2 (0.38) CHRM1CYP1A2CYP2D6LMNAALDH1A1
SCHEMBL2866421 0.76 CYP1A2 (0.59) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL2864950 0.76 CHRM1 (0.62) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL18785343 0.75 CHRM1 (0.45) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL10334586 0.75 SLC6A4 (0.39) CHRM1CHRM3CHRM2CHRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019411-A4 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 2003-08-13 EP claimed
EP-1019411-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2000-07-19 EP claimed
WO-1999002531-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1999-01-21 WO claimed
EP-1019411-A4 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 2003-08-13 EP disclosed
EP-0842166-B1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 2000-11-08 EP disclosed
EP-1019411-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2000-07-19 EP disclosed
US-6063931-A REACTING 4-HYDROXYPROLINE N-PROTECTED WITH AN OXYCARBONYL OR PHOSPHORYL GROUP WITH DIPHENYLPHOSPHINIC CHLORIDE, METHANESULFONYLATION OF HYDROXY GROUP AND COMBINING PRODUCT IN WATER WITH A METAL SULFIDE TO FORM CYCLIZED FINAL PRODUCT MERCK & CO., INC. (US) 2000-05-16 US disclosed
US-6060607-A CARBAPENEM INTERMEDIATE REACTED WITH DIPHENYLPHOSPHINIC CHLORIDE TO ACTIVATE THE CARBOXYLIC ACID GROUP, AND THEN REACTED WITH METHANESULFONYL CHLORIDE TO PRODUCE PRODUCT WHICH IS REACTED WITH A GROUP II METAL SULFIDE SOURCE MERCK & CO., INC. (US) 2000-05-09 US disclosed
WO-1999002531-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1999-01-21 WO disclosed
EP-0842166-A4 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 1998-11-25 EP disclosed
EP-0842166-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO. INC. (US) 1998-05-20 EP disclosed
US-5721368-A REACTING 2-CARBOXY-4-HYDROXYPYRROLIDINE DERIVATIVE WITH DIPHENYLPHOSPHINIC CHLORIDE, THEN WITH METHANESULFONYL CHLORIDE, THEN WITH SODIUM SULFIDE, THEN WITH AMINE COMPOUND MERCK & CO. INC. (US) 1998-02-24 US disclosed
US-5648501-A Process for synthesizing carbapenem side chain intermediates MERCK & CO., INC. (US) 1997-07-15 US disclosed
WO-1997006154-A1 PROCESS FOR SYNTHESIZING CARBAPENEM SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1997-02-20 WO disclosed