SCHEMBL21132257

SCHEMBL21132257

C=Cc1ccc(CN(Cc2ccc(C)cc2)C(CC)CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PYCR1 P32322 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
SCHEMBL20468080 0.94 ALDH1A1 (0.35) KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL274546 0.85 ALDH1A1 (0.41) KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL20468069 0.79
SCHEMBL20464236 0.77 AGTR2 (0.30)
SCHEMBL20467365 0.76
SCHEMBL21132717 0.75 PNP (0.37) MEN1TP53MAPTKMT2ACYP3A4
SCHEMBL21342239 0.74 ALDH1A1 (0.31) ALDH1A1TAS1R3TAS1R1
SCHEMBL8975771 0.74 ALDH1A1 (0.48) MEN1TP53MAPTKMT2AALDH1A1
SCHEMBL21132244 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3300446 0.73 TSHR (0.49) MEN1TP53KMT2AALDH1A1

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
US-10821760-B2 Inkjet printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-11-03 US disclosed
US-20190184725-A1 INKJET PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-06-20 US disclosed