SCHEMBL9687090

SCHEMBL9687090

COc1cc(Cl)cc(Oc2c[c]ccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2A7 P20853 1/20 0.34
CYP3A7 P24462 1/20 0.34
CYP2F1 P24903 1/20 0.34
CYP2C18 P33260 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2J2 P51589 1/20 0.34

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
SCHEMBL2753555 0.92 ALDH1A1 (0.42) SMN1; SMN2LTA4HALDH1A1CYP1A1CYP1A2
SCHEMBL1282838 0.88 TERT (0.39) LTA4HALDH1A1MAPTKMT2APGR
SCHEMBL920806 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LTA4HALDH1A1CYP3A4KMT2A
SCHEMBL919571 0.80 AR (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL13119751 0.79 LTA4H (0.59) SMN1; SMN2LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL919392 0.79 LTA4H (0.59) SMN1; SMN2LTA4HALDH1A1CYP1A2CYP2C9
SCHEMBL24628559 0.78 PGR (0.50) SMN1; SMN2LTA4HALDH1A1CYP1A1CYP1A2
SCHEMBL2699 0.76
SCHEMBL8155454 0.76 LTA4H (0.43) SMN1; SMN2LTA4HALDH1A1MAPTKMT2A
SCHEMBL511009 0.75 MAOA (0.47) SMN1; SMN2LTA4HALDH1A1CYP1A2CYP2D6

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
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
US-5116826-A SILAZANEOPHYL SULFIDES, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-5002957-A Insecticides, acaricides, nematocides HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0249015-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
EP-0336199-A1 Azaneophyl and silazaneophyl sulfides, process for their preparation, agents containing them, and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-11 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0288810-A1 Heterocyclic neophane analogs, processes for their preparation and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed
US-4775664-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-04 US disclosed
EP-0249015-A1 Silane derivatives, process for their preparation, agents containing them, and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-16 EP disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed