SCHEMBL13898129

SCHEMBL13898129

COc1cc(C)c(Bc2c(C)cc(O)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
PTPN1 P18031 2/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYTH2 Q99418 1/20 0.40
MAOA P21397 2/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL13898103 0.83 ALDH1A1 (0.43) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL11527273 0.80 CYP3A4 (0.56) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL13897768 0.78 ALDH1A1 (0.50) CYP3A4ALDH1A1KMT2APOLBCYTH2
SCHEMBL9543808 0.75 CYP3A4 (0.50) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL13898130 0.73 CYP3A4 (0.46) CYP3A4ALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL13039044 0.72 ALDH1A1 (0.42) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL3047027 0.72 CYP3A4 (0.56) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL13898188 0.72 ABL1 (0.47) CYP3A4ALDH1A1KMT2ATP53SMN1; SMN2
Flamenol SCHEMBL69428 0.71 CYP3A4 (0.62) CYP3A4PTPN1HPGDALDH1A1KMT2A
SCHEMBL233829 0.71 ALDH1A1 (0.69) CYP3A4PTPN1HPGDALDH1A1KMT2A

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-7510782-B2 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2009-03-31 US disclosed
US-20070167588-A1 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2007-07-19 US disclosed