SCHEMBL4897757

SCHEMBL4897757

C=C(C)C(N)=O.CCCc1c(O)cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
HMGB1 P09429 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
CA14 Q9ULX7 1/20 0.40
JUN P05412 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL9858 0.88 KDM4E (0.50) G6PDCASP7CASP6HMGB1KDM4E
SCHEMBL289432 0.79 KAT8 (0.50) G6PDCASP7CASP6HMGB1KDM4E
Salicylic Acid SCHEMBL9718913 0.78 ALDH1A1 (0.67) G6PDCASP7CASP6HMGB1KDM4E
SCHEMBL3391070 0.78 ALDH1A1 (0.48) HMGB1KDM4ECA12ALDH1A1HPGD
SCHEMBL4473539 0.77 KAT8 (0.56) KDM4EALDH1A1MCL1BIDBCL2L1
Acetic Acid SCHEMBL28668088 0.76 JUN (0.46) CA12ALDH1A1CA1CA2CA7
SCHEMBL2821516 0.76 KAT8 (0.59) KDM4EALDH1A1MCL1BIDBCL2L1
SCHEMBL5271556 0.76 KAT8 (0.59) KDM4EALDH1A1MCL1BIDBCL2L1
SCHEMBL5273325 0.76 KAT8 (0.59) KDM4EALDH1A1MCL1BIDBCL2L1
SCHEMBL6434109 0.76 KAT8 (0.59) KDM4EALDH1A1MCL1BIDBCL2L1

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-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US disclosed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP disclosed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 WO disclosed