SCHEMBL14147406

SCHEMBL14147406

O=Cc1ccc(OCc2ccc(C(F)(F)F)c(F)c2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
ALDH1A1 P00352 6/20 0.43
AOX1 Q06278 1/20 0.43
FFAR1 O14842 1/20 0.41
TACR2 P21452 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
USP28 Q96RU2 1/20 0.40
USP25 Q9UHP3 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
TTR P02766 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL856265 0.84 ALDH1A1 (0.57) KIF11ALDH1A1TACR2MEN1POLB
SCHEMBL7255672 0.78 ALDH1A1 (0.46) ALDH1A1AOX1TACR2MRGPRX4RXRA
SCHEMBL1414753 0.76 ALDH1A1 (0.56) ALDH1A1AOX1MEN1POLBKMT2A
SCHEMBL2697346 0.76 ESRRA (0.53) ALDH1A1AOX1MEN1POLBKMT2A
SCHEMBL14682676 0.75 MAOA (0.57) ALDH1A1AOX1TACR2MEN1KMT2A
SCHEMBL24445838 0.75 KDM4E (0.57) KIF11ALDH1A1AOX1HPGDTTR
SCHEMBL1180820 0.74 MAOA (0.56) ALDH1A1AOX1TACR2POLBKMT2A
SCHEMBL48409 0.73 KIF11 (0.73) KIF11ALDH1A1SMN1; SMN2
SCHEMBL29438427 0.73 KIF11 (0.73) KIF11ALDH1A1SMN1; SMN2
SCHEMBL18002971 0.73 IDO1 (0.50) KIF11ALDH1A1TACR2MRGPRX4USP28

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-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed