SCHEMBL12837657

SCHEMBL12837657

Bc1cc(I)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.48
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.39
HPGD P15428 1/20 0.39
SELP P16109 1/20 0.39
FUT4 P22083 1/20 0.39

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
SCHEMBL13761236 0.83 CA12 (0.50) TPMTTSHRALOX15HIF1ACA12
SCHEMBL10447787 0.83 CA12 (0.50) TPMTTSHRALOX15HIF1ACA12
SCHEMBL1951073 0.83 TPMT (0.59) TPMTTSHRALOX15HIF1ACA12
SCHEMBL422824 0.83 TPMT (0.59) TPMTTSHRALOX15HIF1ACA12
SCHEMBL28224396 0.74 CA12 (0.68) TPMTTSHRALOX15HIF1ACA12
SCHEMBL9988254 0.74 CA12 (0.68) TPMTTSHRALOX15HIF1ACA12
SCHEMBL11954958 0.73 TPMT (0.70) TPMTTSHRALOX15HIF1ACA12
SCHEMBL7947897 0.73 DHODH (0.55) TPMTTSHRALOX15HIF1ACA12
SCHEMBL8012164 0.73 POLB (0.47) TPMTTSHRALOX15HIF1ACA12
SCHEMBL10799482 0.73 TPMT (0.48) TPMTTSHRALOX15HIF1ACA12

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
EP-2246370-B1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-04-12 EP disclosed
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed