SCHEMBL8478244

SCHEMBL8478244

COc1c[c]ccc1CC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.34
SLC6A2 P23975 5/20 0.33
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KCNA5 P22460 1/20 0.31
NR3C2 P08235 1/20 0.30
TAAR1 Q96RJ0 3/20 0.30
IDO1 P14902 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL8477680 0.84 SMN1; SMN2 (0.40) RIPK1SLC6A2NR3C2HTTSMN1; SMN2
SCHEMBL8475579 0.80 CA12 (0.34) MAPK1CA12CA1CA2CA4
SCHEMBL8474416 0.80 TAAR1 (0.32) SLC6A2MAPK1TAAR1
SCHEMBL8859966 0.74 HTR1A (0.43) SMN1; SMN2
SCHEMBL8480296 0.73 TAAR1 (0.42) SLC6A2MAPK1KCNA5TAAR1ALDH1A1
SCHEMBL8475142 0.72 CYP19A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL27588489 0.72 IDO1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL8477543 0.72 MEN1 (0.42) SLC6A2IDO1
SCHEMBL456067 0.71 TAAR1 (0.37) MAPK1CA12CA1CA2CA4
SCHEMBL8476329 0.70 KMT2A (0.44) SLC6A2TAAR1HTTSMN1; SMN2ALDH1A1

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed