SCHEMBL27604754

SCHEMBL27604754

CCC(=O)C(O)c1ccccc1.O=C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 4/20 0.47
ESR2 Q92731 3/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
SRD5A2 P31213 1/20 0.46
CES2 O00748 2/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
ELANE P08246 1/20 0.43
CYP19A1 P11511 1/20 0.42
HSD17B3 P37058 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL156143 0.85 LMNA (0.58) LMNAHPGDCES2CES1ALDH1A1
SCHEMBL8916370 0.85 LMNA (0.58) LMNAHPGDCES2CES1ALDH1A1
SCHEMBL12824633 0.85 LMNA (0.58) LMNAHPGDCES2CES1ALDH1A1
Propionic Acid SCHEMBL31604525 0.78 RAB9A (0.68) LMNAMAPTRAB9AMEN1KMT2A
Butane SCHEMBL11687427 0.76 RAB9A (0.70) LMNAMAPTRAB9AMEN1KMT2A
Methacrylic Acid SCHEMBL29006645 0.76 HPGD (0.56) LMNAHPGDCES2CES1ALDH1A1
SCHEMBL4559586 0.75 SMN1; SMN2 (0.52) LMNAMAPTHPGDALDH1A1MAPK1
SCHEMBL2544234 0.74 LMNA (0.77) LMNAHSD17B10MAPTRAB9AMEN1
SCHEMBL21828469 0.74 LMNA (0.59) LMNAHSD17B10MAPTRAB9AMEN1
SCHEMBL16516135 0.73 LIG1 (0.54) LMNAHSD17B10MAPTRAB9AMEN1

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
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN disclosed