SCHEMBL11072333

SCHEMBL11072333

C=C(CC/C=C(\C)CCCC(C)COCc1ccccc1)O[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.36
▸ ICMT O60725 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32

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
SCHEMBL11072335 1.00 LSS (0.36) LSSICMTHTTPTGS1PDE4A
Formaldehyde SCHEMBL11076914 0.83 KDM1A (0.42) LSSICMTHTTPTGS1PDE4A
SCHEMBL11074774 0.82 KDM1A (0.44) LSSICMTHTTPTGS1PDE4A
SCHEMBL11074770 0.82 KDM1A (0.44) LSSICMTHTTPTGS1PDE4A
SCHEMBL11074826 0.80 GLRA3 (0.31) PTGS1PDE4ASNCAPDE3AKDM1A
SCHEMBL11069313 0.80 PTPN1 (0.49) LSSHTTPTGS1PDE4ASNCA
SCHEMBL11069316 0.80 PTPN1 (0.49) LSSHTTPTGS1PDE4ASNCA
SCHEMBL11069179 0.79 KDM1A (0.38) LSSICMTHTTPTGS1PDE4A
SCHEMBL11069174 0.79 KDM1A (0.38) LSSICMTHTTPTGS1PDE4A
SCHEMBL11071383 0.79 HTT (0.40) HTTPTGS1PDE4ASNCAPDE3A

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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