SCHEMBL17197409

SCHEMBL17197409

CCOC(=O)c1cc(OCCCCCBr)c(C(=O)O)cc1OCCCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.47
TSHR P16473 3/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR3 Q99500 1/20 0.44
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
PLA2G2A P14555 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7760951 0.96 KMT2A (0.44) PTPN11TSHRHSD17B10KMT2A
SCHEMBL7759459 0.96 KMT2A (0.44) PTPN11TSHRHSD17B10KMT2A
SCHEMBL18417238 0.90 KMT2A (0.54) TSHRKMT2A
SCHEMBL25428188 0.90 KMT2A (0.46) TSHRHSD17B10KMT2A
SCHEMBL19821462 0.86 MEN1 (0.49) TSHRKMT2AHTT
SCHEMBL19821463 0.86 MEN1 (0.49) TSHRKMT2AHTT
SCHEMBL668867 0.83 TSHR (0.54) TSHRHSD17B10KMT2ATP53
SCHEMBL8106327 0.81 PTPN11 (0.37) PTPN11TSHRHSD17B10S1PR3PTPN1
SCHEMBL8100384 0.81 PTPN11 (0.37) PTPN11TSHRHSD17B10S1PR3PTPN1
SCHEMBL7754584 0.81 KMT2A (0.47) TSHRKMT2ATP53

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
WO-2015159098-A1 FLUOROALKYLFLUORENE DERIVATIVES LOMOX LIMITED (GB) 2015-10-22 WO disclosed