SCHEMBL13069883

SCHEMBL13069883

CCC(=O)OCc1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 1/20 0.47
NLRP3 Q96P20 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GALR3 O60755 1/20 0.43
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL18322465 0.88 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL4618290 0.83 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL6666758 0.83 TSHR (0.47) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL17938470 0.82 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL19765228 0.82 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL5932420 0.81 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL30163264 0.81 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL11025355 0.81 ALDH1A1 (0.60) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL7898301 0.81 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ERAB9ANPC1
SCHEMBL287344 0.80 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247171-A1 METAL-CLAD SUBSTRATE, AND METHOD FOR PRODUCTION THEREOF FUJIFILM Corporation (JP) 2010-11-03 EP disclosed