SCHEMBL795706

SCHEMBL795706

COC(=O)c1cccc([I+]c2cccc(COC=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
MRGPRX4 Q96LA9 6/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SLC7A5 Q01650 1/20 0.43
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
EGFR P00533 1/20 0.40
ERN1 O75460 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
SCHEMBL5543244 0.88 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4ALDH1A1
SCHEMBL5165440 0.82 TSHR (0.55) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL30516320 0.82 TSHR (0.55) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL12770172 0.78 IDO1 (0.44) MAPT
SCHEMBL795457 0.77 TSHR (0.60) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL795716 0.77 LOXL2 (0.49) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL29457307 0.76 LOXL2 (0.49) LOXL2CYP4F2CYP4A11MRGPRX4ALDH1A1
SCHEMBL12556800 0.75 CYP4F2 (0.51) LOXL2CYP4F2CYP4A11MRGPRX4ALDH1A1
SCHEMBL16449828 0.74 PTPN11 (0.51) LOXL2CYP4A11MRGPRX4ALDH1A1RAB9A
SCHEMBL5546275 0.74 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43560-E1 Positive photosensitive compositions FUJIFILM CORPORATION (JP) 2012-07-31 US disclosed
US-20120070783-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-03-22 US disclosed
US-20110014569-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-01-20 US disclosed