SCHEMBL10656341

SCHEMBL10656341

CCOC(=O)C(C(=O)N(C)C)=C(OCc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
NR1H4 Q96RI1 1/20 0.40
CNR1 P21554 1/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
MDM2 Q00987 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9653812 0.90 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL9653690 0.85 MAPT (0.42) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL9652682 0.84 ALDH1A1 (0.44) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9653773 0.84 MAPT (0.42) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL9652724 0.82 ALDH1A1 (0.42) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9653251 0.82 ALDH1A1 (0.45) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9653285 0.82 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9653220 0.82 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9651887 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9653779 0.80 ALDH1A1 (0.42) NPC1RAB9AALDH1A1KDM4EMEN1

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
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed