SCHEMBL2829352

SCHEMBL2829352

Cc1cc(-c2cc(C)c(OCCCC3CO3)c(C)c2)cc(C)c1OCCCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTR1A P08908 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL2831066 0.95 ALDH1A1 (0.41) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2832887 0.91 ALDH1A1 (0.36) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2832920 0.86 MEN1 (0.36) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2832825 0.86 MEN1 (0.40) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2835837 0.85 ALDH1A1 (0.44) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2831538 0.81 ALDH1A1 (0.39) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2830465 0.81 ALDH1A1 (0.39) ALDH1A1HTR1AGLAMEN1KMT2A
SCHEMBL2832947 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL2832835 0.80 SRD5A2 (0.36) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL2831186 0.80 CYP3A4 (0.42) ALDH1A1GLAMEN1KMT2ACYP3A4

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed