SCHEMBL20457633

SCHEMBL20457633

CC(C)CCC(C)(C)OOC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
PPARA Q07869 1/20 0.42
ELANE P08246 9/20 0.41
RAB9A P51151 2/20 0.40
ABCB1 P08183 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3629558 0.94 TDP1 (0.58) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL43962 0.84 TDP1 (0.72) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL7741879 0.80 TDP1 (0.51) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL609677 0.80 ADRB2 (0.45) ALDH1A1TSHRHSD17B10TDP1RAB9A
SCHEMBL28080657 0.79 TDP1 (0.83) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL31121236 0.79 TDP1 (0.60) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL29625946 0.78 TDP1 (0.64) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL2464406 0.78 TDP1 (0.74) ALDH1A1TSHRHSD17B10TDP1F2
SCHEMBL28733 0.78 TDP1 (0.64) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Tert-Butyl Hydroperoxide SCHEMBL28098403 0.78 TDP1 (0.69) ALDH1A1TSHRHSD17B10TDP1F2

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
US-10040902-B2 Polymeric photoinitiators COLOPLAST A/S (DK) 2018-08-07 US disclosed