SCHEMBL8946360

SCHEMBL8946360

C=CCOC(=O)COCCCC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
TSHR P16473 4/20 0.59
HPGD P15428 4/20 0.47
CES2 O00748 2/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G2C Q5R387 1/20 0.35

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
SCHEMBL4260215 0.95 TSHR (0.62) TDP1TSHRHPGDCES2HCAR2
SCHEMBL19296598 0.89 TDP1 (0.67) TDP1TSHRHPGDCES2ALDH1A1
SCHEMBL7767124 0.86 TSHR (0.52) TDP1TSHRHPGDATMALDH1A1
SCHEMBL194073 0.81 TSHR (0.46) TDP1TSHRHPGDCES2ATM
SCHEMBL8670951 0.81 TDP1 (0.61) TDP1TSHRHPGDALDH1A1HSD17B10
SCHEMBL1055702 0.81 ALDH1A1 (0.54) TDP1TSHRHPGDCES2ATM
SCHEMBL3430807 0.80 TDP1 (0.63) TDP1TSHRHPGDALDH1A1HSD17B10
SCHEMBL27579881 0.80 TDP1 (0.79) TDP1TSHRHPGDCES2ALDH1A1
SCHEMBL31443222 0.80 TSHR (0.61) TDP1TSHRHPGDATMALDH1A1
SCHEMBL28665486 0.80 TSHR (0.61) TDP1TSHRHPGDATMALDH1A1

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-5493027-A ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-02-20 US disclosed
WO-1994017042-A1 ANTICONVULSIVE AGENTS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-08-04 WO disclosed