SCHEMBL13652843

SCHEMBL13652843

CC(C)(C)CC(C)(C)c1cc(Cc2ccccc2)c(O)c(-n2n3c4ccccc4n23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALOX5 P09917 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL2612596 0.92 CYP3A4 (0.40) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL2608675 0.87 CYP3A4 (0.40) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL13840736 0.87 BCL2 (0.42) BCL2BCL2L1ALDH1A1ALOX5PTPN1
SCHEMBL10031633 0.86 CYP3A4 (0.40) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL14513849 0.82 CYP3A4 (0.34) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL2612597 0.79 SHBG (0.36) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL13840732 0.78 BCL2 (0.46) BCL2BCL2L1IDH1ALOX5PTPN1
SCHEMBL13840739 0.77 PTPN1 (0.53) BCL2BCL2L1IDH1ALOX5PTPN1
SCHEMBL19413908 0.77 CYP3A4 (0.33) CYP3A4ALDH1A1HIF1AIDH1CYP2C9
SCHEMBL9002356 0.77 CYP3A4 (0.45) CYP3A4ALDH1A1HIF1AIDH1CYP2C9

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-20090246416-A1 OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 — — US disclosed
Send feedback