SCHEMBL91961

SCHEMBL91961

CCC(C)Oc1ccc([I+]c2cccc(C(=O)OC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SLC7A5 Q01650 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
ACACB O00763 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 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
SCHEMBL4857337 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL755467 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL5165440 0.80 TSHR (0.55) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL30516320 0.80 TSHR (0.55) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL28827921 0.78 SMN1; SMN2 (0.61) SMN1; SMN2LOXL2TSHRMEN1KMT2A
SCHEMBL795457 0.78 TSHR (0.60) LOXL2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL4686240 0.78 SMN1; SMN2 (0.61) SMN1; SMN2LOXL2TSHRMEN1KMT2A
SCHEMBL29457307 0.74 LOXL2 (0.49) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL12556800 0.73 CYP4F2 (0.51) SMN1; SMN2LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL9700206 0.73 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A

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-8127675-B2 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20100005989-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION 2010-01-14 US disclosed