SCHEMBL6112640

SCHEMBL6112640

C=C(Oc1ccc(C(C)(C)C)cc1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL3633529 0.80 MAPT (0.64) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL33915 0.79 ELANE (0.56) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL11185048 0.79 ALDH1A1 (0.44) MAPTALDH1A1LMNAHSD17B10ALOX15
SCHEMBL3777454 0.78 ALDH1A1 (0.47) MAPTALDH1A1TDP1HSD17B10ALOX15
SCHEMBL1790162 0.78 MAPT (0.56) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL14470835 0.78 EPHX2 (0.49) MAPTALDH1A1TDP1L3MBTL1RAB9A
SCHEMBL28833766 0.77 MAPT (0.51) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL3367629 0.76 MAPT (0.58) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL47809 0.75 MAPT (0.61) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL21837346 0.75 HDAC1 (0.53) MAPTALDH1A1TDP1LMNAMAPK1

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
WO-2006016218-A1 ARYL OR HETEROARYL CARBONYL DERIVATIVES DERIVATIVES USEFUL AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-02-16 WO disclosed