SCHEMBL6858554

SCHEMBL6858554

CC(CO)c1ccccc1C(=O)c1ccccc1C(C)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ACE2 Q9BYF1 2/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 2/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL11187515 0.89 AKR1C3 (0.48) TSHRALDH1A1ACE2GAAMAPT
SCHEMBL9040914 0.86 ALDH1A1 (0.43) TSHRALDH1A1ACE2MAPTSMN1; SMN2
SCHEMBL5230221 0.86 ACE2 (0.50) TSHRALDH1A1ACE2GAAMAPT
SCHEMBL20555850 0.86 ACE2 (0.50) TSHRALDH1A1ACE2GAAMAPT
SCHEMBL3380036 0.85 IRAK4 (0.47) TSHRALDH1A1ACE2GAAMAPT
SCHEMBL10489460 0.84 TSHR (0.59) TSHRALDH1A1TP53GAAMAPT
SCHEMBL2258718 0.84 TSHR (0.59) TSHRALDH1A1TP53GAAMAPT
SCHEMBL29082621 0.84 GAA (0.41) TSHRALDH1A1ACE2GAAMAPT
SCHEMBL8897335 0.82 MEN1 (0.50) TSHRALDH1A1ACE2TP53MAPT
SCHEMBL3417958 0.82 TSHR (0.50) TSHRALDH1A1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783809-B2 LOW VISCOSITY PHOTOCURABLE COMPOSITIONS WHICH, WHEN FULLY CURED, GIVE MOULDED ARTICLES OF EXCELLENT FLEXIBILITY HUNTSMAN ADVANCED MATERIALS AMERICAS INC. 2004-08-31 US disclosed
US-20020068801-A1 Photosensitive diacrylate and dimethacrylate compositions HUNTSMAN INTERNATIONAL LLC 2002-06-06 US disclosed
US-6316552-B1 USED IN PHOTOSENSITIVE FORMULATIONS WHICH ARE USED IN PREPARATION OF THREE-DIMENSIONAL OBJECTS VANTICO INC. 2001-11-13 US disclosed
US-6043323-A LOW VISCOSITY PHOTOCURABLE COMPOSITIONS WHICH, WHEN FULLY CURED, GIVE MOULDED ARTICLES OF EXCELLENT FLEXIBILITY. CIBA SPECIALTY CHEMICALS CORP. (US) 2000-03-28 US disclosed