SCHEMBL11666972

SCHEMBL11666972

CCCCCNc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.56
ABL1 P00519 1/20 0.48
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
AVPR2 P30518 1/20 0.46
HCAR3 P49019 1/20 0.46
KDM6B O15054 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CISD1 Q9NZ45 6/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
EGFR P00533 2/20 0.44
SYK P43405 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL11320571 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11307705 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11318599 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11313036 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11307858 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11320812 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11309283 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11316566 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11307721 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2
SCHEMBL11306890 0.98 PLK1 (0.58) PLK1ABL1BCL2L1MCL1AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088651-A Acylamino quinophthalone compounds BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed