SCHEMBL9629188

SCHEMBL9629188

CCCCCNC(C)(C)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 2/20 0.45
SIGMAR1 Q99720 1/20 0.38
EPHX2 P34913 2/20 0.37
EPHX1 P07099 3/20 0.36
HTT P42858 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
Hydrochloric Acid SCHEMBL28722422 0.79 NAAA (0.37) ALDH1A1NAAASIGMAR1EPHX1HTT
Hydrochloric Acid SCHEMBL10607352 0.79 NAAA (0.37) ALDH1A1NAAASIGMAR1EPHX1HTT
Hexane SCHEMBL27260332 0.78 ALDH1A1 (0.75) ALDH1A1TSHRTDP1NAAAHTT
SCHEMBL11319875 0.78 LIPG (0.46) NAAASIGMAR1
Heptane SCHEMBL27259929 0.77 ALDH1A1 (0.72) ALDH1A1TSHRTDP1NAAAHTT
Hydrochloric Acid SCHEMBL11235735 0.76 LIPG (0.45) NAAASIGMAR1
SCHEMBL27296556 0.75 TSHR (0.62) ALDH1A1TSHRTDP1NAAASIGMAR1
Pentane SCHEMBL27743488 0.74 ALDH1A1 (0.75) ALDH1A1TSHRTDP1NAAAHTT
SCHEMBL31358230 0.74 CNR1 (0.39) TSHRTDP1NAAASIGMAR1EPHX2
SCHEMBL23861612 0.74 KCNN4 (0.44) ALDH1A1TSHRTDP1NAAAHTT

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-0145654-B2 METHOD OF LINING THE INSIDES OF PIPES OR PARTS OF PIPES CIBA-GEIGY AG (CH) 1992-05-13 EP claimed