SCHEMBL5182121

SCHEMBL5182121

Cc1cc(O)ccc1C(C)(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR2 Q92731 9/20 0.38
ESR1 P03372 8/20 0.38
AR P10275 2/20 0.38
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL12866834 0.80 SCN10A (0.36) CYP2C9ESR2ESR1HSP90AA1HSP90AB1
SCHEMBL3986128 0.79 KIF11 (0.41) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL29616024 0.77 ALOX15 (0.46) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL1482385 0.77 ALOX15 (0.46) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL440099 0.77 ALOX15 (0.46) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL31553274 0.77 ALOX15 (0.58) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL29465786 0.77 ALOX15 (0.46) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL1159790 0.77 ALOX15 (0.58) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL2815583 0.77 ALDH1A1 (0.45) ALOX15ALDH1A1LMNAHTTCYP3A4
SCHEMBL307346 0.77 PYCR1 (0.33) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478626-B2 DETECTING OR QUANTIFYING MULTIPLE ANALYTES USING LABELLING TECHNIQUES GEN PROBE INC (US) 2007-06-27 EP disclosed
US-5756011-A CHEMILUMINESCENT REACTIONS GEN-PROBE INCORPORATED (US) 1998-05-26 US disclosed
US-5656207-A CHEMILUMINESCENCE ASSAY GEN PROBE INCORPORATED 1997-08-12 US disclosed
EP-0478626-B1 DETECTING OR QUANTIFYING MULTIPLE ANALYTES USING LABELLING TECHNIQUES GEN PROBE INC (US) 1996-01-17 EP disclosed
EP-0478626-A1 DETECTING OR QUANTIFYING MULTIPLE ANALYTES USING LABELLING TECHNIQUES. UNIV WALES MEDICINE (GB) 1992-04-08 EP disclosed
WO-1991000511-A1 DETECTING OR QUANTIFYING MULTIPLE ANALYTES USING LABELLING TECHNIQUES UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 1991-01-10 WO disclosed