SCHEMBL8942463

SCHEMBL8942463

C=C(C(=O)O)C(CC1CO1)C(C)=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MGLL Q99685 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL2960847 0.75 MGLL (0.40) RECQLALDH1A1CYP3A4CYP2C9MGLL
SCHEMBL1519063 0.75 ALDH1A1 (0.35) ALDH1A1
Methacrylic Acid SCHEMBL6862971 0.74 AKR1C3 (0.44) AKR1C3RECQLPKMMAPK1HTT
SCHEMBL11111013 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26364 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5074976 0.69 TDP1 (0.41)
Methacrylic Acid SCHEMBL28973688 0.69 PAM (0.42) AKR1C3HPGDALDH1A1MGLLMEN1
SCHEMBL1774350 0.68 CYP3A4 (0.53) AKR1C3RECQLPKMMAPK1ALDH1A1
SCHEMBL9161196 0.68 AKR1C3 (0.50) AKR1C3RECQLPKMMAPK1HTT
SCHEMBL6865409 0.67 ALDH1A1 (0.44) AKR1C3RECQLPKMMAPK1HPGD

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-0724518-A1 WATER-BASED TRANSPARENT IMAGE RECORDING SHEET MINNESOTA MINING & MFG (US) 1996-08-07 EP disclosed
WO-1995011133-A1 WATER-BASED TRANSPARENT IMAGE RECORDING SHEET MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-27 WO disclosed