SCHEMBL7466845

SCHEMBL7466845

c1ccc2c(c1)Cc1ccccc1OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.65
MAOA P21397 2/20 0.64
MAOB P27338 1/20 0.64
PKM P14618 2/20 0.48
TSHR P16473 2/20 0.48
OXTR P30559 1/20 0.46
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL489968 0.82 MAOA (0.61) ABCG2MAOAMAOBTSHROXTR
SCHEMBL29353984 0.80
SCHEMBL4424499 0.80
SCHEMBL8711 0.80
SCHEMBL14417491 0.80 ABCG2 (1.00) ABCG2MAOBPKMTSHRITGB2
SCHEMBL7606738 0.78 MAOA (0.70) ABCG2MAOAMAOBTSHROXTR
Xanthene SCHEMBL30586075 0.78 MAOA (1.00) ABCG2MAOAMAOBOXTRITGB2
Xanthene SCHEMBL4267 0.78 MAOA (1.00) ABCG2MAOAMAOBOXTRITGB2
Xanthene SCHEMBL29378346 0.78 MAOA (1.00) ABCG2MAOAMAOBOXTRITGB2
Xanthene SCHEMBL9339684 0.78 MAOA (1.00) ABCG2MAOAMAOBOXTRITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931173-A HYPOLIPIDEMIC RICHARDSON-MERRELL INC. (US) 1976-01-06 US claimed
US-12043813-B2 Lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 2024-07-23 US disclosed
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
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-4999448-A ALKYLATION WITH PHENYLTHIOMETHYL LITHIUM COMPOUND, CYCLIZATION, INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1991-03-12 US disclosed
US-4979978-A Herbicidal 12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
EP-0403026-A1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DowElanco (US) 1990-12-19 EP 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