SCHEMBL11619271

SCHEMBL11619271

C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.81
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
UGT1A1 P22309 1/20 0.37
SQLE Q14534 3/20 0.36
LSS P48449 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL11619274 1.00 ALOX15 (0.81) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL164898 0.93 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4
SCHEMBL296693 0.93 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4
SCHEMBL296694 0.93 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4
SCHEMBL31678342 0.93 ALOX15 (0.70) ALOX15KMT2AMEN1CYP3A4
Nerolidol SCHEMBL6883271 0.89 ALOX15 (1.00) ALOX15KMT2AMEN1CYP3A4MAPT
Nerolidol SCHEMBL7551916 0.89 ALOX15 (1.00) ALOX15KMT2AMEN1CYP3A4MAPT
Nerolidol SCHEMBL1867217 0.89 ALOX15 (1.00) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL249658 0.89 ALOX15 (1.00) ALOX15KMT2AMEN1CYP3A4MAPT
Nerolidol SCHEMBL9064064 0.89 ALOX15 (1.00) ALOX15KMT2AMEN1CYP3A4MAPT

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-4116955-A META-CYCLOPHANE AND A TRANS-TERPENOID, SEPARATION OF ISOMERS TEIJIN LIMITED (JP) 1978-09-26 US disclosed