SCHEMBL11368337

SCHEMBL11368337

O=C(O)c1ccc(CCCC2OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
TBXAS1 P24557 2/20 0.42
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7505320 0.81 CYP4A11 (0.60) ALDH1A1MAPTTHRBTHRAHRH1
SCHEMBL11305151 0.79 CA12 (0.47) ALDH1A1MAPTTHRBTHRAKCNH2
SCHEMBL2292715 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL7020219 0.79 ESR1 (0.48) ALDH1A1KMT2ATBXAS1KDM4EGAA
SCHEMBL371605 0.78 RARB (0.71) RARBALDH1A1KMT2AMEN1MAPT
SCHEMBL133470 0.78 RARB (0.68) RARBALDH1A1KMT2AMEN1MAPT
SCHEMBL18259963 0.78 MEN1 (0.58) RARBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL826498 0.77 SLC7A5 (0.51) ALDH1A1KMT2AMEN1MAPTKCNH2
SCHEMBL17979185 0.76 MEN1 (0.60) RARBALDH1A1KMT2AMEN1POLB
SCHEMBL14166065 0.76 ACE2 (0.38) RARBALDH1A1KMT2AMEN1RARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260771-A VASODILATORS, ANTICOAGULANTS, IMMUNOLOGY MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4225609-A Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids MERCK & CO., INC. (US) 1980-09-30 US disclosed