SCHEMBL23601569

SCHEMBL23601569

C=C(C)C(=O)OCCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 5/20 0.46
ESR1 P03372 4/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
PDE4D Q08499 1/20 0.45
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL22193449 0.97 TDP1 (0.56) TDP1POLBAPEX1HTTTSHR
SCHEMBL811460 0.94 TDP1 (0.48) TDP1POLBAPEX1HTTTSHR
SCHEMBL7102222 0.92 TDP1 (0.59) TDP1POLBAPEX1HTTTSHR
SCHEMBL4640492 0.86 TSHR (0.64) TDP1POLBAPEX1HTTTSHR
SCHEMBL1696749 0.85 TDP1 (0.54) TDP1POLBAPEX1HTTTSHR
SCHEMBL17036988 0.85 HTT (0.72) TDP1POLBAPEX1HTTTSHR
SCHEMBL435195 0.84 TDP1 (0.66) TDP1POLBAPEX1HTTTSHR
SCHEMBL18350090 0.83 TSHR (0.64) TDP1POLBAPEX1HTTTSHR
SCHEMBL11033460 0.83 HTT (0.74) TDP1POLBAPEX1HTTTSHR
SCHEMBL10790604 0.83 TDP1 (0.69) TDP1POLBAPEX1HTTTSHR

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