SCHEMBL17066141

SCHEMBL17066141

COc1ccc(C2(c3ccc(OC(=O)c4ccc(-c5ccc(C(C)=O)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
LMNA P02545 4/20 0.45
CYP2C9 P11712 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL19863504 1.00 KMT2A (0.45) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL12345968 0.96 KMT2A (0.48) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL12404396 0.93 MAPT (0.46) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL12376960 0.93 MAPT (0.46) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL14007589 0.90 NPSR1 (0.47) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL17131378 0.88 ADORA3 (0.51) KMT2ALMNACYP2C9CYP2C19MAPT
SCHEMBL139339 0.87 CA1 (0.57) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL13656590 0.87 NPSR1 (0.47) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL16775320 0.86 SLC6A2 (0.51) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2
SCHEMBL17370927 0.86 GAA (0.42) KMT2ALMNACYP2C9SMN1; SMN2CYP1A2

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-9128392-B2 Polyarylatecarbonate containing photoconductors XEROX CORPORATION (US) 2015-09-08 US disclosed