SCHEMBL27719081

SCHEMBL27719081

O=C(O)c1cccc(N(c2ccccc2)C2CCCCC2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA3 P22001 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CCR5 P51681 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL27740043 0.81 ALDH1A1 (0.43) ABCC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19858749 0.74 ABCC1 (0.51) ABCC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28494893 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL616634 0.73 KCNA3 (0.53) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL1498759 0.71 MEN1 (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL28709537 0.71 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11484964 0.71 KCNA3 (0.51) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL218047 0.71 KCNA3 (0.50) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL7586296 0.70 MAPT (0.54) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5317324 0.70 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD

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
CN-101291924-A Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORP (US) 2008-10-22 CN disclosed