SCHEMBL8059538

SCHEMBL8059538

C=CC(C)C(COCc1ccccc1)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TSHR P16473 1/20 0.44
TACR1 P25103 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL9489307 0.80 HTT (0.49) KMT2AHTTCA1CA2CA7
SCHEMBL9489505 0.80 HTT (0.49) KMT2AHTTCA1CA2CA7
SCHEMBL22113526 0.80 KMT2A (0.57) KMT2AHTTCA1CA2CA7
SCHEMBL9489310 0.80 HTT (0.49) KMT2AHTTCA1CA2CA7
SCHEMBL8030875 0.80 CA1 (0.51) KMT2AHTTCA1CA2CA7
SCHEMBL13267636 0.79 TACR1 (0.58) CA1CA2CA7CA9TSHR
SCHEMBL19356374 0.79 KMT2A (0.49) KMT2AHTTCA1CA2CA7
SCHEMBL22918182 0.79 KMT2A (0.56) KMT2AHTTCA1CA2CA7
SCHEMBL8059580 0.79 KMT2A (0.56) KMT2AHTTCA1CA2CA7
SCHEMBL19356136 0.79 KMT2A (0.49) KMT2AHTTCA1CA2CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015412-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
WO-1999012885-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed