SCHEMBL14007592

SCHEMBL14007592

COc1ccc(C2(c3ccc(OC(=O)c4cccc(C(=O)Oc5ccc(C6(c7ccc(OC(=O)c8ccc(C(C)=O)cc8)cc7C)CCCCC6)c(C)c5)c4)cc3C)CCCCC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.47
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL141564 0.96 KMT2A (0.48) KMT2AESR1ESR2MEN1CASP3
SCHEMBL139327 0.87 CA1 (0.47) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL14007589 0.83 NPSR1 (0.47) KMT2AESR1ESR2MEN1CASP3
SCHEMBL13258485 0.81 ESR1 (0.52) KMT2AESR1ESR2MEN1CASP3
SCHEMBL14700574 0.81 ACHE (0.41) KMT2AESR1MEN1MAPTSMN1; SMN2
SCHEMBL13656590 0.81 NPSR1 (0.47) KMT2AESR1ESR2MEN1MAPT
SCHEMBL14802305 0.79 PDE7A (0.40) KMT2ASMN1; SMN2
SCHEMBL141558 0.78 GAA (0.49) KMT2AESR1ESR2MEN1CASP3
SCHEMBL13656591 0.78 NPSR1 (0.45) KMT2AESR1ESR2MEN1MAPT
SCHEMBL19863731 0.77 KMT2A (0.43) KMT2AESR1ESR2MEN1MAPT

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-7449271-B2 Electrophotographic photoconductor and methods therefor FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2008-11-11 — — US disclosed
Send feedback