SCHEMBL3024596

SCHEMBL3024596

C=CC(=O)OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TGM2 P21980 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 3/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
PKM P14618 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40
HSPD1 P10809 1/20 0.40
TNFRSF1A P19438 1/20 0.40

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
SCHEMBL10695316 1.00 KIF11 (0.44) KIF11CES2CES1TGM2NPC1
SCHEMBL438661 0.87 THRB (0.43) KIF11CES1TGM2TSHRALDH1A1
SCHEMBL27702244 0.85 THRB (0.42) KIF11CES1TGM2TSHRALDH1A1
SCHEMBL7716816 0.84 KIF11 (0.43) KIF11CES2CES1NPC1RAB9A
SCHEMBL7716823 0.84 KIF11 (0.43) KIF11CES2CES1NPC1RAB9A
SCHEMBL4588423 0.81 CES2 (0.49) KIF11CES2CES1NPC1RAB9A
SCHEMBL27421356 0.81 MAPT (0.44) KIF11CES2CES1TGM2NPC1
SCHEMBL10606703 0.79 MAPT (0.46) KIF11CES2CES1NPC1RAB9A
SCHEMBL21132837 0.77 KIF11 (0.45) KIF11CES2CES1NPC1RAB9A
SCHEMBL28147925 0.76 KMT2A (0.38) CES1TGM2MAOBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475998-B2 Compound synthesis method, microarray, acid-transfer composition, and biochip composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-07-02 US disclosed
US-20120196772-A1 COMPOUND SYNTHESIS METHOD, MICROARRAY, ACID-TRANSFER COMPOSITION, AND BIOCHIP COMPOSITION JSR CORPORATION (JP) 2012-08-02 US disclosed
US-20100190109-A1 ACID TRANSFER COMPOSITION, ACID TRANSFER FILM, AND PATTERN FORMING METHOD JSR CORPORATION (JP) 2010-07-29 US disclosed