SCHEMBL27209147

SCHEMBL27209147

C=CC(=O)OCCCn1c(=O)[nH]c(=O)n(CCCOC(=O)C=C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.45
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.36
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL29061665 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDAPEX1
SCHEMBL978240 0.90 APEX1 (0.47) TSHRALDH1A1CYP3A4HPGDAPEX1
SCHEMBL5269389 0.89 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28004951 0.88 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDAPEX1
SCHEMBL22063940 0.85 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27900308 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDAPEX1
SCHEMBL22064159 0.84 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1069067 0.83 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27704679 0.83 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDAPEX1
SCHEMBL16694127 0.82 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240142875-A1 NEGATIVE TYPE PHOTOSENSITIVE COMPOSITION MERCK PATENT GMBH (DE) 2024-05-02 US disclosed
CN-116685908-A Negative photosensitive composition 默克专利有限公司 2023-09-01 CN disclosed