SCHEMBL11599007

SCHEMBL11599007

C=CC(=O)c1ccccc1C(=O)c1ccccc1CCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.45
THRA P10827 6/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
AKT1 P31749 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
FOLH1 Q04609 1/20 0.37
CYP3A4 P08684 1/20 0.37
CDC25B P30305 1/20 0.36
TSHR P16473 1/20 0.36
KDR P35968 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL11605410 0.91 THRB (0.50) THRBTHRAALDH1A1LMNAKMT2A
SCHEMBL9626488 0.85 FOLH1 (0.47) ALDH1A1LMNAKMT2AMAPTFOLH1
SCHEMBL10664651 0.80 FOLH1 (0.53) ALDH1A1LMNAKMT2AMEN1FOLH1
SCHEMBL27790363 0.79 THRB (0.46) THRBTHRAKMT2AMEN1
Acrylic Acid SCHEMBL5308916 0.78 FOLH1 (0.54) THRBTHRAALDH1A1MAPTFOLH1
SCHEMBL11604500 0.76 KDM4E (0.51) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL19834620 0.76 FOLH1 (0.40) ALDH1A1LMNAKMT2AMEN1FOLH1
SCHEMBL10347642 0.75 AKT1 (0.61) THRBALDH1A1LMNAKMT2AAKT1
SCHEMBL11606521 0.75 HCRTR1 (0.53) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL12802459 0.75 THRB (0.38) THRBTHRAALDH1A1LMNAMAPT

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-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed