SCHEMBL23601574

SCHEMBL23601574

C=C(C)C(=O)OCCC(O)COC(=O)c1cc(C)cc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.35
ADRB1 P08588 10/20 0.35
ADRB3 P13945 10/20 0.35
TSHR P16473 4/20 0.35
THRB P10828 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22005493 0.86 THRB (0.42) TSHRTHRBCA1CA2POLB
SCHEMBL647275 0.81 TSHR (0.50) ADRB2ADRB1ADRB3TSHRCA2
SCHEMBL27383300 0.78 ADRB2 (0.46) ADRB2ADRB1ADRB3POLBAPEX1
SCHEMBL3680977 0.77 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL647274 0.77 ALDH1A1 (0.46) ADRB2ADRB1ADRB3TSHRCA2
SCHEMBL23601571 0.76 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRTHRB
SCHEMBL23601636 0.76 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRTDP1
SCHEMBL26225966 0.76 THRB (0.41) TSHRTHRBCA1CA2POLB
SCHEMBL23601568 0.74 TSHR (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL373114 0.73 TSHR (0.48) ADRB2ADRB1ADRB3TSHRCA2

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-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 US disclosed