SCHEMBL11102789

SCHEMBL11102789

CCC1(C(=O)O)Oc2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.40
APEX1 P27695 1/20 0.39
GLA P06280 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGA4 P13612 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GRM1 Q13255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11109213 0.86 THRB (0.44) THRBTDP1MAPTAPEX1GLA
SCHEMBL16345537 0.85 ROCK2 (0.46)
SCHEMBL11107251 0.76 MAPT (0.42) MAPTGLACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL11105120 0.76 THRB (0.47) THRBTDP1MAPTAPEX1GLA
SCHEMBL11105045 0.74 APEX1 (0.53) THRBTDP1MAPTAPEX1GLA
SCHEMBL11111238 0.72 AKR1B1 (0.43) THRBTDP1MAPTAPEX1GLA
SCHEMBL11109835 0.71 TDP1 (0.46) THRBTDP1MAPTAPEX1GLA
SCHEMBL11104839 0.71 THRB (0.39) THRBTDP1MAPTAPEX1GLA
SCHEMBL11108558 0.70 APEX1 (0.55) THRBTDP1MAPTAPEX1GLA
SCHEMBL11105945 0.69 LMNA (0.41) MAPTGLACTDSP1ALDH1A1SMN1; SMN2

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed