SCHEMBL13974191

SCHEMBL13974191

Cc1cc(C(C)(C)c2cc(C)c(OCCO)c(C)c2)cc(C)c1OCC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN2A Q99250 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL13974070 0.92 ALDH1A1 (0.38) HTR1ABRD4KDM4EALDH1A1KMT2A
SCHEMBL13974068 0.92 ALDH1A1 (0.41) HTR1ABRD4KDM4EALDH1A1KMT2A
SCHEMBL13974071 0.89 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ACYP3A4SMN1; SMN2
SCHEMBL347042 0.87 HTR1A (0.43) HTR1ABRD4KDM4EALDH1A1S1PR1
SCHEMBL2999427 0.79 ALDH1A1 (0.39) HTR1ABRD4KDM4EALDH1A1S1PR1
SCHEMBL13964548 0.78 ALDH1A1 (0.49) HTR1ABRD4KDM4EALDH1A1KMT2A
SCHEMBL13964547 0.78 ALDH1A1 (0.45) HTR1AKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL8201459 0.77 HTR1A (0.43) HTR1ABRD4KDM4EALDH1A1S1PR1
SCHEMBL14398594 0.76 HTR1A (0.36) HTR1ABRD4KDM4EALDH1A1S1PR1
SCHEMBL13964546 0.75 ALDH1A1 (0.49) HTR1AKDM4EALDH1A1GAAKMT2A

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
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed