SCHEMBL9474690

SCHEMBL9474690

C=C(CCc1ccccc1)C(=O)OOC(C)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
PTGES O14684 6/20 0.39
ALOX5 P09917 6/20 0.39
PPARG P37231 6/20 0.39
FFAR1 O14842 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 2/20 0.37

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
SCHEMBL5835751 0.78 TSHR (0.34) HPGD
SCHEMBL4901097 0.76 LMNA (0.44) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL3506182 0.73 MEN1 (0.44) NPC1RAB9AMEN1KMT2APTGES
SCHEMBL16009093 0.72 HDAC3 (0.48) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL16672870 0.71 CTSK (0.48) NPC1RAB9AHPGDHDAC3PTGES
SCHEMBL7299043 0.70 MAPT (0.53) MEN1KMT2AHDAC3ALOX5FFAR1
SCHEMBL3997663 0.70 ALDH1A1 (0.53) NPC1RAB9AALOX5FFAR1TDP1
SCHEMBL11201910 0.69 SMN1; SMN2 (0.51) NPC1RAB9AKMT2AHPGDHDAC3
SCHEMBL6131026 0.69 ALDH1A1 (0.42) HPGDHDAC3PTGESALOX5PPARG
SCHEMBL28389780 0.69 TSHR (0.59) NPC1RAB9AMEN1KMT2ATDP1

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-5252427-A Polymer having pendant acid labile groups and free acid groups, substance that forms acid upon exposure to actinic ratiation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-12 US claimed
US-5252427-A Polymer having pendant acid labile groups and free acid groups, substance that forms acid upon exposure to actinic ratiation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-12 US disclosed