SCHEMBL11075996

SCHEMBL11075996

CCOC(=O)C=C(C)CCCC(C)COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35

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) ALDH1A1FOLH1HTTSLC1A1
SCHEMBL11074770 0.81 KDM1A (0.44) FOLH1HTTSLC1A1
SCHEMBL11074774 0.81 KDM1A (0.44) FOLH1HTTSLC1A1
Formaldehyde SCHEMBL11076914 0.80 KDM1A (0.42) FOLH1HTTSLC1A1
SCHEMBL11079293 0.79 HTT (0.41) FOLH1HTTSLC1A1
SCHEMBL11079291 0.79 HTT (0.41) FOLH1HTTSLC1A1
SCHEMBL7179932 0.79 FOLH1 (0.52) FOLH1MAPTHTTSMN1; SMN2SLC1A1
SCHEMBL11069313 0.78 PTPN1 (0.49) FOLH1HTT
SCHEMBL11069316 0.78 PTPN1 (0.49) FOLH1HTT
SCHEMBL11071383 0.77 HTT (0.40) FOLH1HTT

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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