SCHEMBL8410430

SCHEMBL8410430

CC1(C)OCC(C(=O)NCc2ccccc2)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HPGD P15428 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
MC4R P32245 1/20 0.49
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8410423 1.00 TSHR (0.55) TSHRHPGDHTTALDH1A1USP2
SCHEMBL8413516 1.00 TSHR (0.55) TSHRHPGDHTTALDH1A1USP2
SCHEMBL8998862 0.79 HPGD (0.66) TSHRHPGDHTTALDH1A1USP2
SCHEMBL29941835 0.79 HPGD (0.66) TSHRHPGDHTTALDH1A1USP2
SCHEMBL9729470 0.76 ALDH1A1 (0.47) ALDH1A1TMEM97SIGMAR1
SCHEMBL31047712 0.75 ALDH1A1 (0.49) TSHRALDH1A1TMEM97SIGMAR1
SCHEMBL11617650 0.75 ALDH1A1 (0.49) TSHRALDH1A1TMEM97SIGMAR1
SCHEMBL3783840 0.74 TSHR (0.51) TSHRHPGDHTTALDH1A1USP2
SCHEMBL3783838 0.74 TSHR (0.51) TSHRHPGDHTTALDH1A1USP2
SCHEMBL27611795 0.74 TSHR (0.51) TSHRHPGDHTTALDH1A1USP2

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-5880158-A TREATMENT OF EPILEPSY AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS RESEARCH CORPORATION TECH., INC. (US) 1999-03-09 US disclosed
WO-1998013336-A1 PROPIONAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-04-02 WO disclosed