SCHEMBL22144464

SCHEMBL22144464

O=C1CCCN1c1ccc(OCC2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 4/20 0.48
▸ PARP10 Q53GL7 4/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ HRH1 P35367 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ GRM2 Q14416 2/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL11792919 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAHTTPKM
SCHEMBL6552462 0.79 LMNA (0.61) ALDH1A1SMN1; SMN2LMNAHTTPKM
SCHEMBL5853216 0.77 HPGD (0.53) PARP15PARP10PARP2ALDH1A1SMN1; SMN2
SCHEMBL12445261 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2AKR1C3KDM1AHPGD
SCHEMBL11142367 0.76 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2AKR1C3HPGDNPC1
SCHEMBL11113445 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAHTTPKM
SCHEMBL17946119 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTPKM
SCHEMBL20000540 0.75 PARP15 (0.51) PARP15PARP10PARP2ALDH1A1HRH3
SCHEMBL22065525 0.75 KDM1A (0.62) ALDH1A1SMN1; SMN2LMNAHTTPKM
SCHEMBL1776266 0.74 KDM1A (0.59) ALDH1A1SMN1; SMN2LMNAHTTPKM

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
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
Send feedback