SCHEMBL9629362

SCHEMBL9629362

CCCCCC(CCOCC)COc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
APP P05067 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
AKR1C3 P42330 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL423258 0.87 TDP1 (0.59) TDP1POLBABCG2THRBATM
SCHEMBL28415884 0.85 ABCG2 (0.52) TDP1POLBABCG2THRBATM
SCHEMBL2038405 0.83 TDP1 (0.63) TDP1POLBABCG2THRBATM
SCHEMBL2038409 0.83 TDP1 (0.63) TDP1POLBABCG2THRBATM
SCHEMBL28588565 0.81 THRB (0.47) TDP1POLBABCG2THRBATM
SCHEMBL8081148 0.81 THRB (0.49) TDP1POLBABCG2THRBATM
SCHEMBL8081146 0.81 THRB (0.49) TDP1POLBABCG2THRBATM
SCHEMBL1391294 0.80 TDP1 (0.56) TDP1POLBABCG2THRBATM
SCHEMBL7181303 0.80 TDP1 (0.53) TDP1POLBABCG2PLA2G4BBCHE
SCHEMBL158084 0.79 POLB (0.59) POLBABCG2APPTHRBATM

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-5100918-A Prevention or treatment of sunburn using the S(+) isomer of ibuprofen STERLING DRUG, INC. (US) 1992-03-31 US claimed