SCHEMBL10069933

SCHEMBL10069933

O=C(Cc1ccc(CO)cc1)C1CCC(Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
FAAH O00519 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL2044549 0.81 LMNA (0.58) LMNAKMT2AMEN1POLBGAA
SCHEMBL14042690 0.79 CA2 (0.54) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL12834066 0.77 HPGD (0.50) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL9664669 0.77 GAA (0.47) LMNAKMT2AMEN1POLBGAA
SCHEMBL1155730 0.76 FAAH (0.55) LMNAKMT2AMEN1FAAHL3MBTL1
SCHEMBL5646773 0.76 ALDH1A1 (0.48) KMT2AMEN1POLBGAAL3MBTL1
SCHEMBL6141392 0.73 PIK3CA (0.47)
SCHEMBL10014186 0.71 HPGD (0.49) KMT2APOLBNPC1RAB9AL3MBTL1
SCHEMBL6180801 0.71 EPHX1 (0.45) KMT2A
SCHEMBL4189434 0.70 LMNA (0.50) LMNAKMT2AMEN1POLB

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
EP-1369713-B1 PHASE DIFFERENCE PLATE COMPRISING POLYMER FILM CONTAINING COMPOUND HAVING ROD-SHAPED MOLECULAR STRUCTURE FUJIFILM CORP (JP) 2012-05-02 EP disclosed