SCHEMBL9286647

SCHEMBL9286647

[CH2]C(C)(C)COOCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
APP P05067 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOB P27338 1/20 0.42
CALM1 P0DP23 2/20 0.41
LTA4H P09960 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3036840 0.75 LTA4H (0.69) IDO1AGXTAPPMAOBLTA4H
SCHEMBL8077148 0.74 IDO1 (0.61) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL16085924 0.72 IDO1 (0.53) IDO1AGXTAPPMAOBCALM1
SCHEMBL18552992 0.72 IDO1 (0.53) IDO1AGXTAPPMAOBCALM1
SCHEMBL15431874 0.71 IDO1 (0.57) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL2089652 0.71 IDO1 (0.57) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL153642 0.70 IDO1 (0.61) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL31270 0.69 IDO1 (0.67) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL34413 0.69 IDO1 (0.67) IDO1AGXTAPPSMN1; SMN2ALDH1A1
SCHEMBL130044 0.69 IDO1 (0.58) IDO1AGXTSMN1; SMN2ALDH1A1TP53

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
EP-0665960-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1995-08-09 EP disclosed
WO-1994010606-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed