SCHEMBL10700445

SCHEMBL10700445

C[C](O)Cc1ccc(OCCOCC2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MGLL Q99685 2/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9325190 0.83 TDP1 (0.55) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL10700448 0.82 TSHR (0.41) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL195029 0.82 TDP1 (0.47) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL25015205 0.79 TDP1 (0.47) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL28630372 0.79 ALDH1A1 (0.49) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL2829822 0.79 TDP1 (0.50) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL7933696 0.79 TDP1 (0.70) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL2719932 0.79 TDP1 (0.50) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL11950258 0.78 ALDH1A1 (0.47) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL11967034 0.78 L3MBTL1 (0.55) TSHRALDH1A1TP53MAPTHPGD

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
EP-0281941-A2 Coreactive photoinitiators CIBA-GEIGY AG (CH) 1988-09-14 EP disclosed