SCHEMBL9768971

SCHEMBL9768971

ClCC1=CCOc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MAOB P27338 4/20 0.33
CYP19A1 P11511 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.31
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30
PARP1 P09874 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL9724429 0.81 PKM (0.38) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL295321 0.81 PKM (0.38) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL16263333 0.80 PKM (0.35) PKMTSHRABCG2ITGB2ICAM1
Hydrochloric Acid SCHEMBL15054537 0.79 PKM (0.37) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL8309740 0.78 PKM (0.36) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL293833 0.78 PKM (0.36) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL9768795 0.77 HTR7 (0.35) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL4564855 0.77 TSHR (0.35) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL11004170 0.77 ADRA2A (0.47) MAOBCYP19A1KMT2AADRA2ASMN1; SMN2
SCHEMBL7430943 0.77 PKM (0.39) PKMTSHRABCG2ITGB2ICAM1

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-0040506-B1 REACTIVE POLYMER AND PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1986-08-20 EP claimed
US-5030625-A Applying to phytopathogen SANDOZ LTD. (CH) 1991-07-09 US disclosed
EP-0191269-B1 NOVEL HOMOPROPARGYLAMINES SANDOZ AG (CH) 1991-03-06 EP disclosed
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4684661-A Anti-fungal homopropargylamines, compositions, and method of use therefor SANDOZ LTD. (CH) 1987-08-04 US disclosed
EP-0074611-B1 METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0191269-A2 Novel homopropargylamines SANDOZ AG (CH) 1986-08-20 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4382951-A FUNGICIDES SANDOZ LTD. (CH) 1983-05-10 US disclosed
EP-0051824-A2 Improvement in the method for producing 7-aminocephem compounds Takeda Chemical Industries, Ltd. (JP) 1982-05-19 EP disclosed