SCHEMBL14864987

SCHEMBL14864987

CC=C(O)CCN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
PAOX Q6QHF9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
MCL1 Q07820 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL105467 0.70 KDM5A (0.48) ALDH1A1MEN1KMT2APAOXTDP1
SCHEMBL7229020 0.70 PAOX (0.31) ALDH1A1PAOX
SCHEMBL12330237 0.70 MEN1 (0.32) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL3339877 0.69 PAOX (0.38) ALDH1A1MEN1POLBKMT2APAOX
SCHEMBL11587066 0.68 KDM5A (0.47) ALDH1A1MEN1KMT2APAOXTDP1
Hydrochloric Acid SCHEMBL866233 0.68 KDM5A (0.47) ALDH1A1MEN1KMT2APAOXTDP1
SCHEMBL8204357 0.68 KDM5A (0.47) ALDH1A1MEN1KMT2APAOXTDP1
SCHEMBL27575143 0.68 PAOX (0.38) ALDH1A1MEN1KMT2APAOXKDM4E
SCHEMBL5889011 0.67
SCHEMBL585434 0.67

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-2581371-A1 PYRROLYL SUBSTITUTED DIHYDROINDOL-2-ONE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Qilu Pharmaceutical Co., Ltd (CN) 2013-04-17 EP disclosed