SCHEMBL6364229

SCHEMBL6364229

C=C(C)C(=O)OC1CCCCC1.C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 5/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
ABCB1 P08183 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL6364230 0.82 TAAR1 (0.38) TAAR1EPHX2CHRM2CHRM4CHRM5
Methacrylic Acid SCHEMBL22607673 0.81 ALDH1A1 (0.44) TAAR1ALDH1A1EPHX2EPHX1SIGMAR1
SCHEMBL7529002 0.81 TDP1 (0.41) L3MBTL1TAAR1ALDH1A1KDM4EHPGD
SCHEMBL7116762 0.81 ALDH1A1 (0.46) ALDH1A1EPHX2EPHX1SIGMAR1
SCHEMBL10477467 0.80 NAAA (0.38) ALDH1A1CYP2C19SMN1; SMN2EPHX1CHRM2
Benzene SCHEMBL28199384 0.80 EPHX1 (0.42) ALDH1A1CYP2C19SMN1; SMN2EPHX1MAPT
Styrene SCHEMBL209795 0.79 TDP1 (0.39) L3MBTL1ALDH1A1KDM4ELMNAMAPT
Methacrylic Acid SCHEMBL1082311 0.78 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPT
Styrene SCHEMBL3780614 0.78 FABP7 (0.41) L3MBTL1ALDH1A1LMNAMAPTCHRM2
SCHEMBL11287908 0.77 FKBP1A (0.50) ALDH1A1SMN1; SMN2EPHX2EPHX1

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
US-6890609-B2 Ink-jet receptor sheet containing nitrile polymer AVECIA LIMITED (GB) 2005-05-10 US disclosed
US-6727296-B1 WATER-DISSIPATABLE POLYMER HAVING COLORANT ATTACHED; WATERPROOFING, LIGHTFASTNESS, AND OPTICAL DENSITY AVECIA LIMITED (GB) 2004-04-27 US disclosed
US-20030176566-A1 Ink-jet receptor sheet containing nitrile polymer AVECIA INKJET LIMITED (GB) 2003-09-18 US disclosed
WO-2002016143-A1 INK-JET RECEPTOR SHEET CONTAINING NITRILE POLYMER AVECIA LIMITED (GB) 2002-02-28 WO disclosed
EP-1084202-A1 COMPOSITION BASED ON WATER-DISSIPATABLE ACRYLIC POLYMER Avecia Limited (GB) 2001-03-21 EP disclosed
WO-2000078553-A1 INK RECEPTIVE SUBSTRATES AVECIA LIMITED (GB) 2000-12-28 WO disclosed
WO-2000037575-A1 INK-JET INK COMPOSITIONS AVECIA LIMITED (GB) 2000-06-29 WO disclosed
WO-1999050365-A1 COMPOSITION BASED ON WATER-DISSIPATABLE ACRYLIC POLYMER AVECIA LIMITED (GB) 1999-10-07 WO disclosed