SCHEMBL9621680

SCHEMBL9621680

C=C(C)C(=O)Nc1cc(O)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TSHR P16473 1/20 0.46
GRIK1 P39086 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
DHODH Q02127 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5409391 0.89 TDP1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL17968439 0.84 AKR1C3 (0.48) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL5490228 0.83 KDM4E (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL346345 0.81 DHODH (0.62) ALDH1A1CA12CA2CA9MEN1
SCHEMBL29367052 0.81 DHODH (0.62) ALDH1A1CA12CA2CA9MEN1
SCHEMBL11537231 0.80 DHODH (0.60) ALDH1A1CA12CA2CA9MEN1
SCHEMBL3628065 0.80 PTPN1 (0.45) ALDH1A1GRIK1MEN1KMT2ATDP1
SCHEMBL22200960 0.78 POLB (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL3044265 0.76 KDM4E (0.71) ALDH1A1CA12CA1CA2CA7
SCHEMBL14339913 0.76 POLB (0.56) ALDH1A1TSHRMEN1KMT2ATDP1

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
EP-0323521-B1 CURABLE COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4920188-A (Meth)acrylate monomer; dental bonding agent MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-04-24 US disclosed