SCHEMBL10567154

SCHEMBL10567154

CCOC(=O)Cc1ccc(OCc2cc(F)ccc2C(=O)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 4/20 0.44
MAOA P21397 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
TBXAS1 P24557 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL10562286 0.91 MAOB (0.51) MAOBFFAR1FFAR4TSHRTBXAS1
SCHEMBL10565958 0.87 ALDH1A1 (0.46) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10563757 0.86 MAPT (0.46) MAOBFFAR1FFAR4MAOANPC1
SCHEMBL4415159 0.83 TSHR (0.50) MAOBFFAR1FFAR4NPC1SMN1; SMN2
Methane SCHEMBL10565161 0.82 TSHR (0.49) MAOBFFAR1FFAR4NPC1SMN1; SMN2
SCHEMBL13939925 0.81 MAPT (0.54) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL10565152 0.79 MAPT (0.46) MAOBFFAR1FFAR4TBXAS1ALDH1A1
SCHEMBL10564870 0.79 RXRA (0.61) MAOBFFAR1
SCHEMBL10564536 0.78 PTGS1 (0.49) MAOBFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4417759 0.76 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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
US-4816591-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1989-03-28 US disclosed
US-4585788-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1986-04-29 US disclosed
US-4082850-A TOPICAL APPLICATION OF A 6,11-DIHYDROBENZ(B,E)OXEPIN-ALKANOIC ACID OR DERIVATIVES THEREOF AMERICAN HOECHST CORPORATION (US) 1978-04-04 US disclosed