SCHEMBL5012477

SCHEMBL5012477

CC(C(=O)O)(c1ccccc1)C(C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 3/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP2D6 P10635 1/20 0.44
KCNN4 O15554 1/20 0.42

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
SCHEMBL27534480 0.88 CYP2C9 (0.55) MAPTKMT2ACYP2C9TSHRKDM4E
SCHEMBL3726386 0.84 CYP1A2 (0.54) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL27987782 0.83 PPARA (0.49) MAPTKMT2AALDH1A1CYP2C9
SCHEMBL28938751 0.82 CYP1A2 (0.52) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL28727502 0.82 CYP1A2 (0.52) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL1894263 0.80 CYP1A2 (0.56) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL2308306 0.80 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL13447969 0.80 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL11687748 0.79 MAPT (0.50) MAPTKMT2ACYP2C19HIF1AALDH1A1
Trifluoroacetic Acid SCHEMBL27504505 0.77 MAPT (0.44) MAPTKMT2ACYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361450-B2 Photosensitive resins, resin compositions and products of curing thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-04-22 US disclosed
US-20050153230-A1 Photosensitive resins, resin compositions and products of curing thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-14 US disclosed