SCHEMBL764200

SCHEMBL764200

CCc1cc(-c2ccc(C=O)c(C)c2)ccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
HSD17B1 P14061 2/20 0.34
SRC P12931 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
GLS O94925 1/20 0.34
GLS2 Q9UI32 1/20 0.34
CYP3A4 P08684 2/20 0.33
TYR P14679 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERN1 O75460 2/20 0.32

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
SCHEMBL11869494 0.86 ALDH1A1 (0.52) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL29918523 0.86 ALDH1A1 (0.52) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL6273154 0.81 MAPT (0.46) ALDH1A1NPC1RAB9AHSD17B1LMNA
SCHEMBL27273253 0.80 BCL2 (0.50) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL30302136 0.77 ALDH1A1 (0.54) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL3360913 0.77 CYP2A6 (0.46) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL5265352 0.77 ALDH1A1 (0.54) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL606252 0.76 SRC (0.50) ALDH1A1TSHRSRCGAALMNA
SCHEMBL26682283 0.76 HSD17B1 (0.50) HSD17B1SRCCYP3A4ERN1CYP1A2
SCHEMBL4889825 0.76 ERN1 (0.50) ALDH1A1TSHRHSD17B1TYRERN1

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-2431400-A2 MODIFIED POLYIMIDE AND METHOD FOR PRODUCING MODIFIED POLYIMIDE PI R & D Co. Ltd (JP) 2012-03-21 EP disclosed