SCHEMBL7164671

SCHEMBL7164671

Cc1cc(C=O)cc(C)c1OCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PPARA Q07869 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
ALB P02768 1/20 0.43
FFAR1 O14842 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42

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
SCHEMBL7163428 0.85 SRC (0.43) TSHRSRCALDH1A1MEN1KMT2A
SCHEMBL8612271 0.85 SRC (0.50) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL145729 0.82 SRC (0.49) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL5351709 0.81 SRC (0.53) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL146965 0.80 SRC (0.50) SRCALDH1A1KMT2APPARGPPARD
SCHEMBL378363 0.80 SRC (0.50) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL7679676 0.80 SRC (0.46) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL20475472 0.80 SRC (0.44) TSHRSRCALDH1A1CYP1A2CYP3A4
SCHEMBL15331405 0.79 SRC (0.46) SRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL16012896 0.79 PPARA (0.58) ALDH1A1KMT2APPARAALBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566494-B1 Solid support for use in the generation of preferential peptides REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-05-20 US disclosed
US-5917015-A Support material for solid phase organic synthesis REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-06-29 US disclosed