SCHEMBL19820873

SCHEMBL19820873

CCC(C)(CC(C)c1ccncc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
KIF11 P52732 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL19820880 0.84 SLC6A2 (0.40) RIPK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL6265732 0.82 SLC6A2 (0.42) RIPK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL15893491 0.81 ESR1 (0.46) RIPK1SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL19820891 0.81 RIPK1 (0.41) RIPK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL9586848 0.81 SLC6A2 (0.41) RIPK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL19820885 0.76 CYP17A1 (0.36) RIPK1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL19750813 0.75 SLC6A2 (0.31) RIPK1SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL17703537 0.74 CYP3A4 (0.40) RIPK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL19267955 0.73 RIPK1 (0.36) RIPK1ALDH1A1CYP2C19HIF1ATAAR1
SCHEMBL3001776 0.72 RIPK1 (0.49) RIPK1SLC6A3ALDH1A1CYP2C19HIF1A

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-20180031975-A1 PATTERN TREATMENT METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-02-01 US disclosed