SCHEMBL16024955

SCHEMBL16024955

C=C(CCC=C(C)C)CCSOCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.39
SQLE Q14534 4/20 0.39
ICMT O60725 1/20 0.37
ALOX15 P16050 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
UGT1A1 P22309 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1191493 0.73 TSHR (0.52) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL15709505 0.71 TSHR (0.54) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL7561754 0.71 TSHR (0.45) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL20171227 0.71 KMT2A (0.61) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7568956 0.70 TSHR (0.48) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL1982504 0.70 TSHR (0.48) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL17429481 0.69 TSHR (0.40) TSHRKMT2ASQLEALOX15MAPT
SCHEMBL7561867 0.69 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7583169 0.69 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7583163 0.69 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1

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
WO-2014138113-A2 1,2-HYDROSILYLATION OF DIENES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-12 WO disclosed