SCHEMBL11076000

SCHEMBL11076000

CCC(C(=O)O)=C(C)CCCC(C)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.39
▸ SLC1A1 P43005 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ PSMB11 A5LHX3 1/20 0.36
▸ PSMD11 O00231 1/20 0.36
▸ PSMD12 O00232 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ PSMA7 O14818 1/20 0.36
▸ PSMD3 O43242 1/20 0.36
▸ PSMC3 P17980 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMA1 P25786 1/20 0.36
▸ PSMA2 P25787 1/20 0.36

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
SCHEMBL11081443 0.83 FOLH1 (0.45) FOLH1SLC1A1ALDH1A1CA1CA2
SCHEMBL7179932 0.82 FOLH1 (0.52) FOLH1SLC1A1CA1CA2CA7
SCHEMBL19854872 0.78 LMNA (0.47) FOLH1SLC1A1ALDH1A1CA1CA2
SCHEMBL5870182 0.76 FOLH1 (0.58) FOLH1SLC1A1ALDH1A1CA1CA2
SCHEMBL11075996 0.75 LMNA (0.39) FOLH1SLC1A1ALDH1A1HTTSMN1; SMN2
SCHEMBL11074770 0.75 KDM1A (0.44) FOLH1SLC1A1HTT
SCHEMBL11074774 0.75 KDM1A (0.44) FOLH1SLC1A1HTT
SCHEMBL11079291 0.74 HTT (0.41) FOLH1SLC1A1CA1CA2CA7
SCHEMBL11079293 0.74 HTT (0.41) FOLH1SLC1A1CA1CA2CA7
SCHEMBL4552958 0.74 TSHR (0.45) CA1CA2CA7CA9KMT2A

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-0021775-B1 SYNTHESIS OF 1RS,4SR,5RS-4-(4,8-DIMETHYL-5-HYDROXY-7-NONEN-1-YL)-4-METHYL-3,8-DIOXABICYCLO(3.2.1)OCTANE-1-ACETIC ACID AND INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1984-09-26 — — EP disclosed
EP-0021775-A1 Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and intermediates ORTHO PHARMACEUTICAL CORPORATION (US) 1981-01-07 — — EP disclosed
US-4237055-A Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid ORTHO PHARMACEUTICAL CORPORATION (US) 1980-12-02 — — US disclosed
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