SCHEMBL9022771

SCHEMBL9022771

OCCNc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 4/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL7637421 0.91 MAPT (0.52) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL2759019 0.91 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL9490421 0.89 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL4668959 0.84 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPTKDM4E
SCHEMBL484008 0.84 TDP1 (0.40) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL2759017 0.83 KMT2A (0.59) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL10668913 0.82 MAPT (0.53) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL11934947 0.81 PRSS1 (0.42) ALDH1A1TDP1TSHRKCNH3
Hydrochloric Acid SCHEMBL9660653 0.81 MAPT (0.51) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL19307313 0.81 ALDH1A1 (0.40) ALDH1A1TDP1TSHRMAPTKDM4E

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-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 — — EP claimed
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