SCHEMBL7917698

SCHEMBL7917698

C=CC(=O)OCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HPGD P15428 8/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 3/20 0.64
USP2 O75604 1/20 0.63
MAOB P27338 1/20 0.60
CA9 Q16790 1/20 0.56
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.54
THRB P10828 1/20 0.53
ESR1 P03372 1/20 0.53
NPC1 O15118 1/20 0.52
TNF P01375 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
NOD1 Q9Y239 1/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8835114 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL7917899 0.85 CA9 (0.72) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL7917987 0.84 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL12886696 0.84 ALDH1A1 (0.77) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL7920889 0.82 KMT2A (0.61) ALDH1A1HPGDSMN1; SMN2KMT2AMAOB
SCHEMBL30837680 0.82 KMT2A (0.61) ALDH1A1HPGDSMN1; SMN2KMT2AMAOB
SCHEMBL8171067 0.81 MAOB (0.70) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL7915805 0.80 AGER (0.67) MAOB
SCHEMBL12722470 0.79 MAOB (0.71) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2
SCHEMBL21630150 0.79 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201087-B1 POLYMERS WHICH CONTAIN COUMARIN OR QUINOLINONE DERIVATIVES AS PHOTOREACTIVE UNITS AS ORIENTING LAYERS FOR LIQUID CRYSTALS; PHOTOCHEMICAL STABILITY AND IMPROVED CONTRAST ROLIC AG (CH) 2001-03-13 US disclosed