SCHEMBL22005493

SCHEMBL22005493

C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TSHR P16473 4/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SERPINE1 P05121 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26225966 0.89 THRB (0.41) THRBCA1CA2TSHRPOLB
SCHEMBL23239270 0.86 THRB (0.44) THRBCA1CA2TSHRPOLB
SCHEMBL23601574 0.86 ADRB2 (0.35) THRBCA1CA2TSHRPOLB
SCHEMBL10040690 0.81 THRB (0.53) THRBCA1CA2TSHRPOLB
SCHEMBL20726246 0.79 TSHR (0.43) THRBTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL26309400 0.79 THRB (0.40) THRBCA1CA2TSHRPOLB
SCHEMBL15695702 0.78 THRB (0.47) THRBCA1CA2TSHRPOLB
SCHEMBL20234069 0.77 TSHR (0.52) CA1CA2TSHRPOLBTDP1
SCHEMBL13389163 0.77 KMT2A (0.41) TSHRTDP1CYP1A2CYP3A4CYP2C19
SCHEMBL18385073 0.77 THRB (0.42) THRBCA1CA2TSHRPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 US disclosed
WO-2021069528-A1 NON DEGRADABLE RADIO-OPAQUE EMBOLISATION MICROSPHERE GUERBET (FR) 2021-04-15 WO disclosed
WO-2020099190-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD BIOTECH S. L. (ES) 2020-05-22 WO disclosed
EP-3653656-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD Biotech S.L. (ES) 2020-05-20 EP disclosed