SCHEMBL9327360

SCHEMBL9327360

Cc1ccc2c(c1)OC(C(=O)O)Oc1ccccc1C21CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
AKR1B1 P15121 2/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 3/20 0.36
CYP19A1 P11511 2/20 0.36
LPAR1 Q92633 4/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 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
SCHEMBL9326002 0.87 POLB (0.51) POLBCASP6AKR1B1GAA
SCHEMBL9329074 0.86 LPAR1 (0.39) LMNALPAR1MEN1KMT2AALDH1A1
SCHEMBL9723392 0.81 POLB (0.40) POLBCASP6AKR1B1LMNAALDH1A1
SCHEMBL10472310 0.77 POLB (0.47) POLBCASP6AKR1B1LMNAMAOB
SCHEMBL9329017 0.75 AKR1B1 (0.42) POLBCASP6AKR1B1MEN1KMT2A
SCHEMBL9327155 0.75 POLB (0.35) POLBCASP6AKR1B1LMNAALDH1A1
SCHEMBL9327109 0.75 POLB (0.55) POLBCASP6AKR1B1MEN1KMT2A
SCHEMBL9723534 0.74 AKR1B1 (0.37) POLBCASP6AKR1B1MEN1KMT2A
SCHEMBL9751992 0.74 POLB (0.46) POLBCASP6AKR1B1LMNAMAOB
SCHEMBL9325969 0.73 ALDH1A1 (0.43) AKR1B1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403026-B1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DOWELANCO (US) 1994-03-02 EP disclosed
US-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-5071465-A Preemergence; postemergence THE DOW CHEMICAL COMPANY (US) 1991-12-10 US disclosed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 US disclosed