SCHEMBL11001295

SCHEMBL11001295

CCCCOCCONC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
CYP3A4 P08684 1/20 0.44
RARB P10826 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
CES2 O00748 1/20 0.38
EPHX1 P07099 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
RARA P10276 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL1495274 0.87
SCHEMBL252825 0.81 EPHX1 (0.45) TSHRCES2EPHX1ALOX15HCAR2
Acetic Acid SCHEMBL28840253 0.80 TSHR (0.38) TSHRCYP3A4RARBMAPTMEN1
SCHEMBL28816929 0.79 EPHX1 (0.48) TSHRMEN1KMT2AALDH1A1CES2
SCHEMBL8516233 0.79 EPHX1 (0.48) TSHRMEN1KMT2AALDH1A1CES2
SCHEMBL9490477 0.79 EPHX1 (0.48) TSHRMEN1KMT2AALDH1A1CES2
Acetic Acid SCHEMBL16761012 0.78 TSHR (0.56) TSHRCYP3A4RARBMAPTMEN1
Acetic Acid SCHEMBL1996435 0.78 TSHR (0.56) TSHRCYP3A4RARBMAPTMEN1
Acetic Acid SCHEMBL4617603 0.78 TSHR (0.56) TSHRCYP3A4RARBMAPTMEN1
Acetic Acid SCHEMBL14759095 0.78 TSHR (0.56) TSHRCYP3A4RARBMAPTMEN1

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-4497963-A ETHYLENICALLY UNSATURADED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed