SCHEMBL8893316

SCHEMBL8893316

CCCCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)OCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 9/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ESR1 P03372 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL28067351 0.95 ALDH1A1 (0.61) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL3387460 0.87 TSHR (0.69) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL28462329 0.86 TSHR (0.59) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL11464655 0.86 ALDH1A1 (0.57) TSHRL3MBTL1TDP1MAPK1ALDH1A1
SCHEMBL4733034 0.85 TSHR (0.57) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL560910 0.84 TSHR (0.77) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL27414498 0.83 L3MBTL1 (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL29000969 0.82 ALDH1A1 (0.70) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9453026 0.82 ALDH1A1 (0.70) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL15674629 0.81 TSHR (0.72) TSHRL3MBTL1TDP1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180417-A1 BET PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-19 WO disclosed
WO-2017176957-A1 MDM2 PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-12 WO disclosed
WO-2017176958-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-12 WO disclosed
CN-106588683-A Synthetic method for two groups of butyl benzyl phthalate (BBP) haptens 江苏大学 2017-04-26 CN disclosed
WO-1997047589-A1 AMINOPHTHALIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed