SCHEMBL23349229

SCHEMBL23349229

O=C(NCc1ccccc1)NC1CCC(CC2CCC(NC(=O)NCc3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.73
HPGD P15428 2/20 0.73
DRD4 P21917 1/20 0.64
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 2/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
MCHR1 Q99705 1/20 0.50

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
SCHEMBL20911011 0.92 EPHX1 (0.84) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL5318930 0.88 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL5028140 0.88 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL5028143 0.88 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL2752603 0.86 EPHX1 (0.97) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL6436349 0.84 EPHX1 (1.00) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL6622416 0.82 EPHX1 (0.73) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL17346791 0.81 ALDH1A1 (0.52) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL17342608 0.80 EPHX1 (0.66) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL14428716 0.80 EPHX1 (0.57) EPHX1HPGDDRD4RAB9ASMN1; SMN2

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
WO-2021096751-A1 PHOTOPOLYMERIZATION SYNERGIST Piedmont Chemical Industries, LLC (US) 2021-05-20 WO disclosed
US-20210139616-A1 Photopolymerization Synergist Piedmont Chemical Industries, LLC 2021-05-13 US disclosed