SCHEMBL5709101

SCHEMBL5709101

[CH]=CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KCNA3 P22001 1/20 0.50
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.43
LTA4H P09960 2/20 0.41
HTR1B P28222 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL419306 0.79 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL1445312 0.79 AOC3 (0.58) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL419305 0.79 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL5071659 0.76 MAOB (0.43) ALDH1A1DRD2DRD4DRD3CYP2C19
SCHEMBL4993415 0.76 KCNA3 (0.58) KCNA3TAAR1ALDH1A1RECQLLTA4H
SCHEMBL9063782 0.76 AGXT (0.57) ALDH1A1KCNH2DRD3LMNATDP1
SCHEMBL3625819 0.75 AOC3 (0.54) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL4154296 0.75 AOC3 (0.54) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL8526568 0.75 AOC3 (0.54) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL16371575 0.75 AOC3 (0.54) AOC3KCNA3TAAR1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107921807-A Original edition of lithographic printing plate, the production method of lithographic plate and organic inorganic hybridization particle 富士胶片株式会社 2018-04-17 CN disclosed
EP-1699763-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-09-13 EP disclosed
WO-2005063710-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4059432-A A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE MITSUBISHI PETROCHEMICAL CO., LTD. (JA) 1977-11-22 US disclosed
US-4059431-A A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE MITSUBISHI PETROCHEMICAL CO., LTD. (JA) 1977-11-22 US disclosed