SCHEMBL4024352

SCHEMBL4024352

COc1ccc2[nH]c3c(c2c1)CC(C)(C)CC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
ALOX15 P16050 3/20 0.56
TSHR P16473 2/20 0.56
RECQL P46063 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
NFKB1 P19838 1/20 0.56
PMP22 Q01453 1/20 0.56
USP2 O75604 1/20 0.55
CYP2C9 P11712 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
BAZ2B Q9UIF8 1/20 0.51
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL6880205 0.83 HSD17B10 (0.52) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL20602364 0.80 MAPT (0.59) HSD17B10CYP1A2CYP2D6TSHRLMNA
SCHEMBL4026285 0.80 BAZ2B (0.49) HSD17B10CYP1A2ALOX15LMNAUSP2
SCHEMBL17026942 0.79 KDM4E (0.49) HSD17B10HTR1DBAZ2BKDM4EMAPT
SCHEMBL13657844 0.79 KDR (0.48) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL5881040 0.79 BAZ2B (0.53) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4026759 0.78 KMT2A (0.61) HSD17B10ALOX15LMNATHRBKDM4E
SCHEMBL6610802 0.78 BAZ2B (0.52) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4279959 0.78 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4286367 0.78 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed