SCHEMBL7516877

SCHEMBL7516877

O=C(O)C(=CCCOc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
PARP10 Q53GL7 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.45
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KCNA3 P22001 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6906866 0.81 PKM (0.50) PKMSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL15256 0.78 MTNR1A (0.51) PKMSMN1; SMN2RAB9APARP10ALOX15
SCHEMBL7520483 0.78 PKM (0.47) PKMSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL196481 0.78 MTNR1A (0.51) PKMSMN1; SMN2RAB9APARP10ALOX15
SCHEMBL8606425 0.77 AKR1C1 (0.52) SMN1; SMN2HPGDALOX15MAPTAKR1C1
SCHEMBL11449882 0.77 PKM (0.46) PKMSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6666605 0.75 AKR1C1 (0.50) SMN1; SMN2HPGDALOX15MAPTAKR1C1
SCHEMBL8041704 0.75 AKR1C1 (0.50) SMN1; SMN2AKR1C1MEN1KMT2AALDH1A1
SCHEMBL6259485 0.75 AKR1C1 (0.50) SMN1; SMN2AKR1C1MEN1KMT2AALDH1A1
SCHEMBL8041709 0.75 AKR1C1 (0.50) SMN1; SMN2AKR1C1MEN1KMT2AALDH1A1

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
EP-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed