SCHEMBL7542441

SCHEMBL7542441

SCc1ccc(OC2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
IDO1 P14902 1/20 0.47
ALOX12 P18054 1/20 0.47
HRH1 P35367 1/20 0.45
GRM2 Q14416 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
FAAH O00519 1/20 0.42
ACACB O00763 1/20 0.42
NAAA Q02083 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
SCHEMBL2242868 0.80 PARP10 (0.55) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL7539391 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL677294 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL7538649 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL11941068 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL7538656 0.80 ALDH1A1 (0.63) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL28563179 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL7542433 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL14244302 0.80 ALDH1A1 (0.54) ALDH1A1TSHRALOX12HRH1GRM2
SCHEMBL508364 0.80 CSNK2A1 (0.56) ALDH1A1TSHRALOX12HRH1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed