SCHEMBL27469712

SCHEMBL27469712

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.O=[N+]([O-])c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
TSHR P16473 5/20 0.63
LMNA P02545 4/20 0.63
MAPK1 P28482 3/20 0.60
CYP3A4 P08684 2/20 0.60
TP53 P04637 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 1/20 0.53
ESR1 P03372 1/20 0.52
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
CYP2C9 P11712 1/20 0.47
CDC25B P30305 1/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL28270647 0.87 ALDH1A1 (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9453026 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL29000969 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL30295637 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL4407176 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phenanthrene SCHEMBL27902537 0.84 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9288049 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL20100237 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27721668 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27729056 0.84 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4

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
CN-1942824-B UV radiation blocking protective layer compatible with thick film paste DU PONT 2011-02-16 CN claimed
CN-1942824-A UV radiation blocking protective layer compatible with thick film paste DU PONT (US) 2007-04-04 CN claimed
CN-1942824-B UV radiation blocking protective layer compatible with thick film paste DU PONT 2011-02-16 CN disclosed
CN-1942824-A UV radiation blocking protective layer compatible with thick film paste DU PONT (US) 2007-04-04 CN disclosed
CN-1181060-C Liquid benz-iso-quinoline derivs. ����ɫ�����칫˾ 2004-12-22 CN disclosed
CN-1258281-A Liquid benz-iso-quinoline derivs. UNITED COLOR MFG INC (US) 2000-06-28 CN disclosed