SCHEMBL27554208

SCHEMBL27554208

CCCOC(=O)C(C(=O)c1c(Cl)cccc1OC)c1ccccc1.O=P

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
FABP4 P15090 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CTSA P10619 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL7180947 0.95 FABP4 (0.38) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27483922 0.93 ALDH1A1 (0.43) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27500280 0.92 PPARA (0.42) LMNAALDH1A1
SCHEMBL27500959 0.92 CA12 (0.43) LMNAALDH1A1CA12CA1CA2
SCHEMBL27486013 0.91 PPARA (0.44) LMNAALDH1A1
SCHEMBL27499363 0.91 PPARA (0.44) LMNAALDH1A1
SCHEMBL27485975 0.91 MMP8 (0.47) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL7180909 0.89 ALDH1A1 (0.41) LMNAMAPTALDH1A1FABP4
SCHEMBL27499054 0.89 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL7182618 0.88 PPARA (0.42) LMNAALDH1A1

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed