SCHEMBL6852686

SCHEMBL6852686

COC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C(=O)OC)c4)c(C(=O)O)c3)cc2C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 2/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
GPR17 Q13304 1/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
PLAU P00749 1/20 0.52
CREBBP Q92793 1/20 0.52
MAPT P10636 1/20 0.51
SORT1 Q99523 1/20 0.51

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
SCHEMBL6852938 0.97 RAB9A (0.63) RAB9ASMN1; SMN2TP53HTTNPC1
SCHEMBL6852748 0.97 RAB9A (0.63) RAB9ASMN1; SMN2TP53HTTNPC1
SCHEMBL6852588 0.95 RAB9A (0.60) RAB9ASMN1; SMN2TP53HTTNPC1
SCHEMBL6848448 0.93 RAB9A (0.57) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL6855096 0.92 RAB9A (0.56) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL9164932 0.89 RAB9A (0.73) RAB9ASMN1; SMN2TP53HTTNPC1
SCHEMBL6848435 0.88 MEN1 (0.63) RAB9ASMN1; SMN2HTTNPC1MEN1
SCHEMBL6851359 0.86 RAB9A (0.64) RAB9ASMN1; SMN2HTTNPC1MEN1
SCHEMBL6852858 0.85 MEN1 (0.60) RAB9ASMN1; SMN2HTTNPC1MEN1
SCHEMBL6852756 0.85 PTPN1 (0.61) RAB9ASMN1; SMN2TP53HTTNPC1

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-6828408-B2 Small coefficient of linear expansion and small water absorbing property, and excellent heat resistance; thermotropic liquid crystalline polymer for engineering plastics SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-07 US disclosed
US-20030083459-A1 Aromatic polyimide ester and method for producing thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-05-01 US disclosed