SCHEMBL10700448

SCHEMBL10700448

CC(O)Cc1ccc(OCCOCC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 2/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
ADRB1 P08588 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 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
SCHEMBL24677399 0.82 ALDH1A1 (0.42) TSHRMEN1KMT2ATP53MAPT
SCHEMBL22005160 0.82 ALDH1A1 (0.42) TSHRMEN1KMT2ATP53MAPT
SCHEMBL9325190 0.82 TDP1 (0.55) TSHRMEN1KMT2ATP53MAPT
SCHEMBL10700445 0.82 TDP1 (0.44) TSHRMEN1KMT2ATP53MAPT
SCHEMBL195029 0.81 TDP1 (0.47) TSHRMEN1KMT2ATP53MAPT
SCHEMBL28630372 0.78 ALDH1A1 (0.49) TSHRMEN1KMT2ATP53MAPT
SCHEMBL25015205 0.78 TDP1 (0.47) TSHRMEN1KMT2ATP53MAPT
SCHEMBL2829822 0.78 TDP1 (0.50) TSHRMEN1KMT2ATP53MAPT
SCHEMBL2719932 0.78 TDP1 (0.50) TSHRMEN1KMT2ATP53MAPT
SCHEMBL11950258 0.77 ALDH1A1 (0.47) TSHRMEN1KMT2ATP53MAPT

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