SCHEMBL10148550

SCHEMBL10148550

Nc1cc(-c2ccc(C(=O)O)cc2)n2ccc3c(c12)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.40
RXRA P19793 5/20 0.40
RXRG P48443 5/20 0.40
ALDH1A1 P00352 3/20 0.36
MYC P01106 2/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 2/20 0.33
EEF2K O00418 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10123683 0.83 RXRA (0.39) RXRBRXRARXRGALDH1A1MYC
SCHEMBL10148986 0.68 RXRA (0.44) RXRBRXRAALDH1A1POLBMEN1
SCHEMBL10149042 0.65 RXRA (0.48) RXRBRXRARXRGALDH1A1MEN1
SCHEMBL10148371 0.65 KDM4E (0.36) RXRBRXRARXRGALDH1A1POLB
SCHEMBL10123784 0.64 XDH (0.40) RXRBRXRA
SCHEMBL11728495 0.63 ALDH1A1 (0.47) RXRBRXRARXRGALDH1A1POLB
SCHEMBL10148487 0.62 KDM4E (0.38) RXRBRXRAALDH1A1KDM4EHSD17B10
Terephthalic Acid SCHEMBL4543853 0.62 TSHR (0.52) RXRBRXRARXRGALDH1A1POLB
SCHEMBL10148361 0.61 NOS3 (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3980033 0.60 METAP2 (0.57) RXRBRXRARXRGALDH1A1KMT2A

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
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed