SCHEMBL12412489

SCHEMBL12412489

C=C(C)C(=O)OCC(=O)OC1C(C)CC2CC1(C)OC2=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL10027361 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12140431 0.82
SCHEMBL12765199 0.81 CYP19A1 (0.31) NPC1POLBMAPTTHRBMAPK1
SCHEMBL12873140 0.80 CYP19A1 (0.32)
SCHEMBL685787 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10061293 0.79 NPC1 (0.35) ALDH1A1NPC1MAPTMAPK1AGTR1
SCHEMBL9881055 0.79 NLRP3 (0.35) OPRK1
SCHEMBL12837074 0.76 PPARG (0.35)
SCHEMBL12430046 0.73 HMGCR (0.31)
SCHEMBL12705683 0.73 POLB (0.30) POLB

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-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed
US-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed