SCHEMBL27749477

SCHEMBL27749477

CCCCCCCCCCCC(=O)OC(=O)c1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL23832320 0.91 CYP4F2 (0.49) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL1446713 0.91 ALDH1A1 (0.60) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL28470030 0.91 ALDH1A1 (0.60) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL28711876 0.91 ALDH1A1 (0.60) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL30364316 0.91 ALDH1A1 (0.60) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL28545041 0.90 CYP4F2 (0.47) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL28378308 0.90 ALDH1A1 (0.47) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL23832313 0.90 CYP4F2 (0.50) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL1395745 0.85 NAAA (0.52) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL11064651 0.85 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4TP53

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
CN-101501078-A Process for preparing a catalyst component for the polymerization of olefins BASELL POLIOLEFINE SRL (IT) 2009-08-05 CN disclosed