SCHEMBL13957871

SCHEMBL13957871

CC1(C)OB(c2ccc(OCCN3CCOCC3)c(N)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
KIT P10721 1/20 0.43
SYK P43405 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDPK1 O15530 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
DRD1 P21728 1/20 0.40

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
SCHEMBL31068420 0.87 POLB (0.51) POLBTSHRSYKALDH1A1MAPT
SCHEMBL722986 0.86 SYK (0.50) POLBTSHRSYKPDPK1HTR2C
SCHEMBL17075646 0.86 KDM4E (0.48) POLBTSHRSYKALDH1A1MAPT
SCHEMBL14758443 0.84 TSHR (0.62) POLBTSHRALDH1A1MAPTHTT
SCHEMBL430271 0.84 ALDH1A1 (0.43) POLBTSHRSYKALDH1A1MAPT
SCHEMBL22636056 0.82 ALDH1A1 (0.44) POLBTSHRSYKALDH1A1MAPT
SCHEMBL2801570 0.82 KDM4E (0.45) POLBTSHRALDH1A1USP2HTR2B
SCHEMBL2797649 0.81 TSHR (0.52) TSHRSYKALDH1A1USP2HTR2B
SCHEMBL171775 0.81 ALDH1A1 (0.55) TSHRALDH1A1USP2HTR2BNPC1
SCHEMBL28502391 0.81 FGFR3 (0.43) POLBTSHRP2RY12MAOB

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-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed