SCHEMBL9811087

SCHEMBL9811087

Cn1cc(O)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PCSK9 Q8NBP7 1/20 0.40
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BRD4 O60885 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR2 Q92731 1/20 0.38
BACE1 P56817 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17279818 0.81 MMP3 (0.54) KMT2AMMP3BCL2L1BRD4MAPT
SCHEMBL9273371 0.78 BRD4 (0.46) KMT2APCSK9BRD4MAPTKDM4E
SCHEMBL23320081 0.75 KMT2A (0.47) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL10940232 0.75 KMT2A (0.41) KMT2APCSK9BRD4MAPK1ALDH1A1
SCHEMBL17266867 0.71 BRD4 (0.52) KMT2APCSK9BRD4MAPTKDM4E
SCHEMBL10462449 0.71 HPGD (0.45) BRD4MAPTALDH1A1HPGDCOMT
SCHEMBL7359280 0.71 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1CCNB2CDK1
SCHEMBL1777961 0.71 ALDH1A1 (0.46) KMT2APCSK9BRD4KDM4EMAPK1
SCHEMBL9810980 0.70 BACE1 (0.51) KMT2AMAPTKDM4EMAPK1BACE1
SCHEMBL10939190 0.70 KMT2A (0.37) KMT2APCSK9BRD4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716236-A Method for synthesizing esters MILES LABORATORIES, INC. (US) 1987-12-29 US claimed
EP-0157327-B1 NOVEL COMPOUNDS FOR DETECTING THE PRESENCE OF HYDROLYTIC ANALYTES IN A TEST SAMPLE MILES INC. (US) 1991-06-12 EP disclosed
EP-0158204-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, CONTAINING A ZWITTERION COUPLING AGENT MILES INC. (US) 1989-11-23 EP disclosed
EP-0157326-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, ESTERASE AND PROTEASE IN A TEST SAMPLE MILES INC. (US) 1989-05-31 EP disclosed
US-4774340-A AMINATION, CYCLIZATION, ESTERIFICATION MILES INC. (US) 1988-09-27 US disclosed
US-4716236-A Method for synthesizing esters MILES LABORATORIES, INC. (US) 1987-12-29 US disclosed
US-4704460-A LEUKOCYTES IN URINE MILES LABORATORIES, INC. (US) 1987-11-03 US disclosed
US-4657855-A DIP-AND-READ, UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-04-14 US disclosed
US-4645842-A DETECTING LEUKOCYTES TO INDICATE KIDNEY OR UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-02-24 US disclosed
US-4637979-A Composition and test device for determining the presence of leukocytes containing a zwitterion coupling agent MILES LABORATORIES, INC. (US) 1987-01-20 US disclosed
EP-0158226-A2 Method of synthesizing esters MILES INC. (US) 1985-10-16 EP disclosed
US-4369277-A Pyrrole-stabilized chlorine-containing thermoplastics CIBA-GEIGY CORPORATION (US) 1983-01-18 US disclosed