SCHEMBL2761099

SCHEMBL2761099

COC(=O)[C@@H]1S[C@@H](C(=O)OC)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3058001 0.72 KMT2A (0.35) BRD4KMT2ACYP1A2HIF1AALDH1A1
SCHEMBL11842181 0.70 ALDH1A1 (0.38) BRD4KMT2ACYP1A2HIF1AALDH1A1
SCHEMBL28228071 0.70 KMT2A (0.31) BRD4KMT2AALDH1A1MMP2ANPEP
SCHEMBL621079 0.69 KMT2A (0.33) BRD4KMT2ACYP1A2HIF1A
SCHEMBL31378653 0.69 CYP1A2 (0.34) BRD4KMT2ACYP1A2HIF1AALDH1A1
SCHEMBL10919849 0.68 TDP1 (0.34) CYP1A2ALDH1A1POLBCYP2C19
SCHEMBL1820973 0.67 DNTT (0.34) BRD4KMT2AALDH1A1POLB
SCHEMBL2597463 0.67 BRD4 (0.45) BRD4KMT2ACYP1A2HIF1AALDH1A1
SCHEMBL7026737 0.66 KMT2A (0.37) BRD4KMT2ACYP1A2HIF1AALDH1A1
SCHEMBL3201971 0.65 BRD4 (0.39) BRD4KMT2ACYP1A2HIF1AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324306-A1 ELECTROCHROMIC MATERIALS UNIVERSITY OF WASHINGTON (US) 2010-12-23 US claimed
US-20090067030-A1 SYNTHESIS OF GREEN ELECTROCHROMIC MATERIALS UNIVERSITY OF WASHINGTON (US) 2009-03-12 US claimed
US-20080055701-A1 SWITCHABLE WINDOW BASED ON ELECTROCHROMIC POLYMERS UNIVERSITY OF WASHINGTON (US) 2008-03-06 US claimed