SCHEMBL13463904

SCHEMBL13463904

C=Cc1ccc(CN(C(C)C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.32
▸ APLNR P35414 1/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TAS1R3 Q7RTX0 2/20 0.30
▸ TAS1R1 Q7RTX1 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL3357943 0.83 ALDH1A1 (0.37) ALDH1A1TDP1KCNH2
SCHEMBL6808117 0.79 HDAC8 (0.46) ALDH1A1TDP1APLNRPYCR1HDAC8
SCHEMBL10171079 0.79 ALDH1A1 (0.44) ALDH1A1TDP1APLNRPYCR1HDAC8
SCHEMBL13153417 0.76 RIPK1 (0.44) ALDH1A1TDP1PYCR1SLC6A2SLC6A4
SCHEMBL91231 0.75 ADRA2B (0.52) ALDH1A1TSHRADRA2BADRA2CSLC6A2
SCHEMBL9988958 0.74 ALDH1A1 (0.42) ALDH1A1TDP1APLNRPYCR1HDAC8
SCHEMBL20657030 0.74 ALDH1A1 (0.38) ALDH1A1TDP1APLNRPYCR1HDAC8
SCHEMBL6391713 0.72 PYCR1 (0.50) ALDH1A1PYCR1HDAC8TSHR
SCHEMBL465236 0.72 HRH3 (0.56) ALDH1A1PYCR1HDAC8TSHRSLC6A2
SCHEMBL18874552 0.72 ALDH1A1 (0.50) ALDH1A1TDP1APLNRPYCR1HDAC8

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
EP-2169022-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 — — EP disclosed
Send feedback