SCHEMBL9751992

SCHEMBL9751992

Cc1ccc2c(c1)OC(C(=O)O)Oc1cc(C)ccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
AKR1B1 P15121 1/20 0.39
MAOB P27338 6/20 0.37
CREBBP Q92793 1/20 0.37
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CYP19A1 P11511 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
METAP1 P53582 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAPDH P04406 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
SCHEMBL10472310 0.93 POLB (0.47) POLBCASP6AKR1B1MAOBCYP19A1
SCHEMBL11805315 0.87 POLB (0.46) POLBCASP6AKR1B1MAOBCREBBP
SCHEMBL1292089 0.82 POLB (0.56) POLBCASP6AKR1B1MAOBCREBBP
SCHEMBL26107947 0.80 MAOB (0.38) AKR1B1MAOBCREBBPPTGS2TP53
SCHEMBL10470237 0.77 RAB9A (0.39) MAOBCA12CA9LMNAMEN1
SCHEMBL11174379 0.77 SMN1; SMN2 (0.45) POLBAKR1B1MAOBCREBBPTP53
SCHEMBL9327125 0.75 POLB (0.56) POLBCASP6MAOBCYP19A1MAPT
SCHEMBL10511106 0.74 PPARG (0.43) HPGDKMT2A
SCHEMBL10470447 0.74 POLB (0.47) POLBCASP6AKR1B1MAOBTDP1
SCHEMBL10472053 0.74 POLB (0.48) POLBCASP6MAOBCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed