SCHEMBL11262327

SCHEMBL11262327

CC1=C(C(=O)OCc2ccccc2)CC(C(=O)OCc2ccccc2)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
GPBAR1 Q8TDU6 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.49
ADORA2B P29275 3/20 0.48
RAB9A P51151 3/20 0.48
STAT1 P42224 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL5767043 0.80 ALDH1A1 (0.51) KMT2AMAPTKDM4ETDP1SLC6A2
SCHEMBL30763962 0.80 TDP1 (0.41) KMT2AMAPTKDM4EMEN1ALOX15
SCHEMBL11264778 0.78 ADORA3 (0.61) KMT2AMAPTKDM4EMEN1TDP1
SCHEMBL10830286 0.76 PDE1C (0.70) KDM4EADORA3GPBAR1ALDH1A1SMN1; SMN2
SCHEMBL95164 0.76 KDM4E (1.00) KMT2AMAPTKDM4EMEN1ALOX15
SCHEMBL11253428 0.76 CACNA1B (0.62) KMT2AMAPTKDM4EMEN1ALOX15
SCHEMBL21138207 0.75 TDP1 (0.53) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL20086322 0.75 ALDH1A1 (0.49) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL1664197 0.74 ALDH1A1 (0.65) KMT2AMAPTKDM4EMEN1TDP1
SCHEMBL16039634 0.74 KDM4E (0.61) KMT2AMAPTKDM4EMEN1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317768-A A PHENYL DIESTER OF 3,5-DICARBOXY-1,4-DIHYDROPYRIDINE LABAZ (FR) 1982-03-02 US disclosed
US-4239893-A STABILIZERS FOR VINYL RESINS LABAZ (FR) 1980-12-16 US disclosed