SCHEMBL7917987

SCHEMBL7917987

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HPGD P15428 8/20 0.68
USP2 O75604 1/20 0.68
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
MAOB P27338 1/20 0.59
KDM4E B2RXH2 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
CA9 Q16790 1/20 0.55
NPC1 O15118 1/20 0.53
TNF P01375 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
NOD1 Q9Y239 1/20 0.53
ESR1 P03372 1/20 0.52

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
SCHEMBL7914254 0.85 CA9 (0.69) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2
SCHEMBL7917698 0.84 ALDH1A1 (0.65) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2
SCHEMBL7920778 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ASMN1; SMN2MAOB
SCHEMBL29408446 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ASMN1; SMN2MAOB
SCHEMBL12886696 0.83 ALDH1A1 (0.77) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2
SCHEMBL7917198 0.83 ALDH1A1 (0.67) ALDH1A1HPGDKMT2AKDM4ELMNA
SCHEMBL8835114 0.82 ALDH1A1 (0.65) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2
SCHEMBL17084634 0.82 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AMAOBKDM4E
SCHEMBL12722470 0.81 MAOB (0.71) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2
SCHEMBL28722650 0.81 MAOB (0.71) ALDH1A1HPGDUSP2KMT2ASMN1; SMN2

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-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
EP-0783537-B1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS ROLIC AG (CH) 1999-12-01 EP disclosed