SCHEMBL14877878

SCHEMBL14877878

CC1CCC(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)C4CCCCC4)ccc2-3)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ HPGD P15428 8/20 0.45
▸ ELANE P08246 2/20 0.44
▸ CA2 P00918 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37

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
SCHEMBL14877839 0.83 KMT2A (0.68) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL14877879 0.82 KMT2A (0.70) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL14877877 0.82 KMT2A (0.50) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL12154185 0.81 KMT2A (0.42) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL18636077 0.79 KMT2A (0.47) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL13135288 0.77 KMT2A (0.49) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL14877883 0.77 ATM (0.52) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL18636251 0.76 L3MBTL1 (0.64) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL11294520 0.76 KMT2A (0.56) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL14864486 0.76 KMT2A (0.60) KMT2AKDM4EALDH1A1GLAGAA

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-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 — — US disclosed
Send feedback