SCHEMBL5885585

SCHEMBL5885585

ICc1ccc2cc(CI)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MC4R P32245 2/20 0.34
MC5R P33032 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
BDKRB2 P30411 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MC3R P41968 1/20 0.32

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
SCHEMBL5884688 0.94 CYP1A2 (0.41) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL11719313 0.89 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29774245 0.89 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL20415535 0.87 CYP2A6 (0.64) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL20930067 0.87 CYP1A2 (0.52) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL14527632 0.85 CYP1A2 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL23340343 0.82 ALDH1A1 (0.56) CYP1A2CYP2A6KMT2AHRH3PTGS1
SCHEMBL22911613 0.80 CYP19A1 (0.54)
SCHEMBL14547859 0.78 CYP2A6 (0.61) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL649682 0.75 ALDH1A1 (0.37) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10279342-B2 Ion-exchange polymer and production method therefor, electrolyte membrane and production method therefor, and composition for producing ion-exchange polymer FUJIFILM CORPORATION (JP) 2019-05-07 US disclosed
US-20160367980-A1 ION-EXCHANGE POLYMER AND PRODUCTION METHOD THEREFOR, ELECTROLYTE MEMBRANE AND PRODUCTION METHOD THEREFOR, AND COMPOSITION FOR PRODUCING ION-EXCHANGE POLYMER FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-20160367980-A1 ION-EXCHANGE POLYMER AND PRODUCTION METHOD THEREFOR, ELECTROLYTE MEMBRANE AND PRODUCTION METHOD THEREFOR, AND COMPOSITION FOR PRODUCING ION-EXCHANGE POLYMER FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-7030171-B2 Process for producing vinyl polymer having functional group at end and vinyl polymer having functional group at end SEKISUI CHEMICAL CO., LTD. (JP) 2006-04-18 US disclosed
US-20040092619-A1 Process for producing vinyl polymer having functional group at end and vinyl polymer having functional group at end WAKIYA TAKESHI (JP) 2004-05-13 US disclosed
US-6693142-B1 POLYMERIZATION REACTION OF VINYL MONOMERS IN PRESENCE OF HALOGEN COMPOUND AND SUBSTITUTING WITH SUCH AS HYDROXYL, AMINO, VINYL OR SILYL GROUPS SEKISUI CHEMICAL CO., LTD. (JP) 2004-02-17 US disclosed
EP-1243599-A1 PROCESS FOR PRODUCING VINYL POLYMER HAVING FUNCTIONAL GROUP AT END AND VINYL POLYMER HAVING FUNCTIONAL GROUP AT END SEKISUI CHEMICAL CO., LTD. (JP) 2002-09-25 EP disclosed