SCHEMBL8775371

SCHEMBL8775371

CN(C)Cc1c(F)c(F)c(C(=O)O)c(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
G6PD P11413 1/20 0.30
PABPC1 P11940 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9809060 0.78 MAPT (0.38) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL709559 0.76 SMN1; SMN2 (0.32) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL10578686 0.74 GAA (0.44) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL4674767 0.72 DUSP3 (0.35) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL11936748 0.71 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL10981379 0.70 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL336394 0.69 CES2 (0.43) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL1635048 0.69 CYP1A2 (0.38) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL29449985 0.69 CES2 (0.43) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL7862999 0.68 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed