SCHEMBL20528652

SCHEMBL20528652

C[CH]CCc1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
HTR1D P28221 2/20 0.36
HTR1B P28222 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27850992 0.79 HRH3 (0.42) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL12802677 0.79 HRH3 (0.42) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL1610963 0.79 HRH3 (0.42) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL27995904 0.79 HRH3 (0.54) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL8507988 0.78 ALDH1A1 (0.33) CYP11B1CYP11B2RAPGEF4MEN1KMT2A
SCHEMBL900740 0.75 HRH3 (0.38) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL12802111 0.73 HRH3 (0.41) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL1609708 0.73 HRH3 (0.41) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL10912798 0.73 HRH3 (0.41) HRH3HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL28813912 0.73 HRH3 (0.41) HRH3HTR1DHTR1BCYP11B1CYP11B2

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-3607002-A1 COLORANT MIXTURES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2020-02-12 EP disclosed
WO-2018184770-A1 COLORANT MIXTURES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2018-10-11 WO disclosed