SCHEMBL4760449

SCHEMBL4760449

CC1(C)CCC(C)(C)c2c(CCO)cc(Cn3cccn3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLS O94925 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 2/20 0.32
KAT7 O95251 1/20 0.32
KAT6B Q8WYB5 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 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
SCHEMBL4709673 0.82 MEN1 (0.39) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL4760926 0.71 KMT2A (0.40) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL28344917 0.71 HTT (0.50) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL4709265 0.69 BRD4 (0.37) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL22163720 0.66 RXRA (0.50) HTTHDAC1HDAC6RARARARB
SCHEMBL4711568 0.66 MEN1 (0.35) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL4709702 0.66 HTT (0.36) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL14256403 0.65 HTT (0.68) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL14987117 0.65 HTT (0.63) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL10244204 0.64 HTT (0.57) HTTKMT2AMEN1TSHRALDH1A1

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
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6777418-B2 FOR TREATING OR PREVENTING EMPHYSEMA, CANCER AND DERMATOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-08-17 US disclosed