SCHEMBL6975646

SCHEMBL6975646

C=CCC[C](C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KMT2A Q03164 3/20 0.48
ALOX15 P16050 4/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
UGT1A1 P22309 1/20 0.43
SQLE Q14534 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LSS P48449 1/20 0.39
POLB P06746 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
SCHEMBL43185 0.78
SCHEMBL3123094 0.76 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL138766 0.76 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL2231674 0.76 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL138767 0.76 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL25286264 0.76 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL14825967 0.74 FNTA (0.64) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL383448 0.74 TSHR (0.48) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL43730 0.74
Butadiene SCHEMBL21354398 0.74 TSHR (0.46) TSHRKMT2AALOX15MEN1CYP3A4

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
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed