SCHEMBL2492717

SCHEMBL2492717

OB(OC(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
TRPV6 Q9H1D0 3/20 0.42
ORAI1 Q96D31 2/20 0.42
ORAI2 Q96SN7 2/20 0.42
ORAI3 Q9BRQ5 2/20 0.42
MGLL Q99685 2/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CCR6 P51684 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL28474744 0.79 CA2 (0.48) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL483731 0.78 TRPV6 (0.45) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL27914578 0.76 ENPP2 (0.54) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL19712647 0.75 ENPP2 (0.59) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL117688 0.75 ENPP2 (0.43) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL14068806 0.71 ENPP2 (0.54) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL27233293 0.70 ENPP2 (0.52) ENPP2TRPV6ORAI1ORAI2ORAI3
Hydrochloric Acid SCHEMBL2319249 0.70 ENPP2 (0.52) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL12615709 0.67 CYP19A1 (0.30)
SCHEMBL21449321 0.67 ENPP2 (0.48) ENPP2TRPV6ORAI1ORAI2ORAI3

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
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed