SCHEMBL5808485

SCHEMBL5808485

C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G7 Q13093 2/20 0.38
THRB P10828 2/20 0.34
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL10784312 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11054800 0.82 PLA2G7 (0.36) PLA2G7
SCHEMBL11332808 0.82 ALDH1A1 (0.41) TSHRALDH1A1PLA2G7GAARAB9A
SCHEMBL11534600 0.80 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11535487 0.80 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11167503 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11536742 0.79 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11532485 0.79 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22722643 0.78 PLA2G7 (0.39) PLA2G7RAB9A
SCHEMBL10878204 0.78 PLA2G7 (0.42) TSHRALDH1A1HSD17B10PLA2G7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US claimed
US-20060072445-A1 Optical recording medium having abrasion resistance and antistatic properties IMATION CORP. 2006-04-06 US disclosed
WO-2006036619-A1 OPTICAL RECORDING MEDIUM HAVING ABRASION RESISTANCE AND ANTISTATIC PROPERTIES IMATION CORP. (US) 2006-04-06 WO disclosed
US-4785064-A URETHANE ACRYLATE AND POLYACRYLATE ESTER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US disclosed
US-4125516-A HEAT STABILIZER, ANTIOXIDANT, DISCOLORATION INHIBITON CIBA-GEIGY CORPORATION (US) 1978-11-14 US disclosed