SCHEMBL11522282

SCHEMBL11522282

CCCCCCCCOc1ccc(C(=O)O)c(-c2ccc(-c3cc(OCCCCCCCC)ccc3C(=O)O)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.72
RARB P10826 4/20 0.61
MCL1 Q07820 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 2/20 0.56
RARA P10276 1/20 0.54
PLA2G2A P14555 1/20 0.54

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
SCHEMBL8374334 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9650384 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9485391 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9485538 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9485471 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL10340811 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9640138 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9486054 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL7875556 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR
SCHEMBL9484789 0.99 PTPN11 (0.70) PTPN11RARBMCL1TP53TSHR

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-4147656-A BIS(4'-N-OCTYLOXYBENZAL)-2-CHLORO-1,4-PHENYLENEDIAMINE, A SCHIFF BASE, \"LICRISTAL 9\ ITEK CORPORATION (US) 1979-04-03 US disclosed
US-4090975-A BIS(4'-N-OCTYLOXYBENZAL)-2-CHLORO-1, 4-PHENYLENEDIAMINE ITEK CORPORATION (US) 1978-05-23 US disclosed