SCHEMBL8089641

SCHEMBL8089641

COC(=O)Nc1cc(OC2CCC(C)C2)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
SCN9A Q15858 11/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7931893 0.85 SCN9A (0.52) RORCSCN9ATSHR
SCHEMBL8083764 0.84 SCN9A (0.54) RORCSCN9ATSHRLMNASMN1; SMN2
SCHEMBL9262674 0.79 SCN9A (0.41) SCN9ATSHRLMNANPSR1TP53
SCHEMBL8761538 0.77 SCN9A (0.38) RORCSCN9ALMNANPSR1DHODH
SCHEMBL7922423 0.77 SCN9A (0.48) RORCSCN9ATSHRLMNANPSR1
SCHEMBL9146354 0.77 CXCR2 (0.36) RORC
SCHEMBL8762025 0.75 ALOX15 (0.36) RORCSCN9ATSHRTP53DHODH
SCHEMBL8084589 0.75 MCHR1 (0.41) RORCSCN9A
SCHEMBL8760807 0.74 POLB (0.43) TSHRLMNANPSR1TP53SMN1; SMN2
SCHEMBL8760753 0.74 NPSR1 (0.37) RORCSCN9ANPSR1DHODH

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-0493606-B1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2000-10-18 EP disclosed
EP-1006105-A1 Benzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-06-07 EP disclosed
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 EP disclosed