SCHEMBL21257134

SCHEMBL21257134

O=C(O)c1cc(C(=O)O)cc(-c2nnc(-c3nnc(-c4nc(-c5nnc(-c6nnc(-c7cc(C(=O)O)cc(C(=O)O)c7)nn6)nn5)nc(-c5nnc(-c6nnc(-c7cc(C(=O)O)cc(C(=O)O)c7)nn6)nn5)n4)nn3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
DHODH Q02127 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CYCS P99999 1/20 0.38
TPMT P51580 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CA3 P07451 1/20 0.38
MAPT P10636 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
SCHEMBL21257103 1.00 ALOX15 (0.46) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL17114228 0.93 TSHR (0.46) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL17114298 0.91 TSHR (0.48) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL21257102 0.89 TSHR (0.46) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL21257119 0.88 DHODH (0.46) ALOX15TSHRHIF1ADHODHCYCS
SCHEMBL28069334 0.86 TSHR (0.54) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL21257079 0.84 DHODH (0.50) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL19010208 0.81 TPMT (0.41) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL17114090 0.80 DHODH (0.40) ALOX15TSHRHIF1ADHODHCA12
SCHEMBL21257132 0.79 DHODH (0.55) DHODHCYCSKMO

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-10850258-B2 Modified porous composite structure, method for manufacturing the same and method for absorbing organic liquid CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2020-12-01 US disclosed
US-20190247839-A1 MODIFIED POROUS ORGANIC FRAMEWORK AND MANUFACTURING METHOD THEREOF, POROUS ORGANIC FRAMEWORK COMPOSITE AND MANUFACTURING METHOD THEREOF CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2019-08-15 US disclosed