SCHEMBL9009920

SCHEMBL9009920

CCCCCCCCCCCCOc1ccccc1C(=O)OCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
TSHR P16473 5/20 0.68
LMNA P02545 4/20 0.68
CYP3A4 P08684 3/20 0.65
KMT2A Q03164 2/20 0.65
NR1I2 O75469 2/20 0.65
CHRM2 P08172 2/20 0.65
OPRK1 P41145 2/20 0.65
HTR2B P41595 2/20 0.65
SLC6A3 Q01959 2/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
ADRA2A P08913 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
MAPK1 P28482 3/20 0.65
TP53 P04637 1/20 0.65
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.58

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
SCHEMBL4409053 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL17961072 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL12816232 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL2853795 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL527255 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL5515133 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL6267333 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL9636466 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL7078029 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A
SCHEMBL17961070 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4KMT2A

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-5525247-A CONTAINING BORON-CONTAINING DISPERSANT AND DETERGENT IDEMITSU KOSAN CO., LTD. (JP) 1996-06-11 US disclosed