SCHEMBL11508643

SCHEMBL11508643

O=C(Cl)Cc1ccc(OCc2ccccc2)c(C(=O)Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.58
PTGER1 P34995 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
GLRA1 P23415 1/20 0.46
FFAR1 O14842 1/20 0.46
SGMS2 Q8NHU3 2/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8072945 0.87 PTGER1 (0.52) FOLH1PTGER1KDM4EPOLBFFAR4
SCHEMBL8658870 0.82 MAOB (0.55) FOLH1PTGER1L3MBTL1KDM4EALDH1A1
SCHEMBL5460706 0.82 PTGER1 (0.65) FOLH1PTGER1CYP2C9
SCHEMBL2394315 0.82 SMPD1 (0.59) KDM4EALDH1A1LMNANPC1HTT
SCHEMBL2392671 0.82 NPC1 (0.60) KDM4ENPC1CYP2C9SMN1; SMN2
SCHEMBL21327456 0.81 LRRK2 (0.57) FOLH1PTGER1L3MBTL1KDM4EALDH1A1
SCHEMBL341109 0.80 SGMS2 (0.62) FOLH1PTGER1L3MBTL1ALDH1A1SGMS2
SCHEMBL11508209 0.79 FOLH1 (0.74) FOLH1PTGER1L3MBTL1KDM4EALDH1A1
SCHEMBL8076364 0.78 GLRA1 (0.52) FOLH1PTGER1KDM4EALDH1A1GLRA1
SCHEMBL2469286 0.77 MRGPRX4 (0.52) FOLH1PTGER1KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160781-A 4-Benzyloxy-3-(chlorocarbonyl)-phenylacetyl chloride AMERICAN HOECHST CORPORATION (US) 1979-07-10 US claimed
US-4175209-A Preparation of 6,11-dihydro-11-oxodibenz[b,e]-oxepin-2-acetic acid and precursors therefor AMERICAN HOECHST CORPORATION (US) 1979-11-20 US disclosed
US-4160781-A 4-Benzyloxy-3-(chlorocarbonyl)-phenylacetyl chloride AMERICAN HOECHST CORPORATION (US) 1979-07-10 US disclosed
US-4160781-A 4-Benzyloxy-3-(chlorocarbonyl)-phenylacetyl chloride AMERICAN HOECHST CORPORATION (US) 1979-07-10 US disclosed
US-4153790-A 4-Benzyloxy-3-(benzyloxy carbonyl)phenylthioacetmorpholide AMERICAN HOECHST CORPORATION (US) 1979-05-08 US disclosed
US-4153791-A 3-Carboxy-4 hydroxyphenylthioacetmorpholide AMERICAN HOECHST CORPORATION (US) 1979-05-08 US disclosed
US-4118401-A Preparation of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid and precursors therefor AMERICAN HOECHST CORPORATION (US) 1978-10-03 US disclosed