SCHEMBL4656549

SCHEMBL4656549

O=C(NC1CCCCC1)C1=C(c2ccccc2)c2ccc(O)cc2C1=O.O=C(O)C1=C(c2ccccc2)c2ccc(O)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR4 P22455 2/20 0.48
FGFR3 P22607 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
GAA P10253 1/20 0.45
MAOB P27338 2/20 0.44
S1PR1 P21453 1/20 0.43
TYR P14679 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3572176 0.97 ESR1 (0.50) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4656551 0.87 PPARG (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3575957 0.82 FGFR1 (0.70) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4823811 0.79 PPARG (0.68) ESR1ESR2NPC1RAB9A
SCHEMBL3577620 0.76 PPARG (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2MAOB
SCHEMBL4656306 0.76 FGFR1 (0.68) FGFR1FGFR2FGFR4FGFR3ESR1
Isopropylamine SCHEMBL3581231 0.75 FGFR1 (0.63) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL3574590 0.72 PPARG (0.73) NPC1RAB9AKDM4ECNR1CNR2
SCHEMBL3578768 0.71 FGFR1 (0.74) FGFR1FGFR2FGFR4FGFR3ESR1
SCHEMBL147279 0.68 FGFR1 (1.00) FGFR1FGFR2FGFR4FGFR3ALDH1A1

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
EP-1756036-A4 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-04-16 EP disclosed
EP-1756036-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-02-28 EP disclosed
WO-2005100297-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed