SCHEMBL9799775

SCHEMBL9799775

CCCCOc1ccc(/C(C)=C/c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TBXAS1 P24557 1/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
ESR1 P03372 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL9246164 1.00 TDP1 (0.52) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL9245810 0.96 TP53 (0.53) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL9245818 0.96 TP53 (0.53) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL9244776 0.89 L3MBTL1 (0.47) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL9244773 0.89 L3MBTL1 (0.47) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL11854557 0.87 ESR1 (0.52) L3MBTL1KMT2AABCG2TSHRESR1
SCHEMBL5166263 0.86 TDP1 (0.66) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL9799848 0.85 MAPT (0.59) L3MBTL1MAPTKMT2ALMNACYP1A2
SCHEMBL9241494 0.85 MAPT (0.59) L3MBTL1MAPTKMT2ALMNACYP1A2
SCHEMBL9245384 0.85 HPGD (0.45) TDP1L3MBTL1MAPTKMT2ALMNA

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-5068252-A Acids, esters, amides, alcohol and ether derivatives ALLERGAN, INC. (US) 1991-11-26 US disclosed