SCHEMBL9685360

SCHEMBL9685360

C=CCC(CCCCCCCCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
BCHE P06276 2/20 0.39
SIGMAR1 Q99720 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
FAAH O00519 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MAOA P21397 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
SCHEMBL9684154 0.87 BCHE (0.42) BCHE
SCHEMBL9685558 0.87 BCHE (0.42) BCHE
SCHEMBL9685612 0.87 BCHE (0.42) BCHE
SCHEMBL9497399 0.86 SMN1; SMN2 (0.41) BCHETDP1L3MBTL1
SCHEMBL9577155 0.86 SMN1; SMN2 (0.41) BCHETDP1L3MBTL1
SCHEMBL17006171 0.85 LTA4H (0.38) BCHETDP1
SCHEMBL9685275 0.85 KCNA3 (0.43) BCHE
SCHEMBL16177752 0.84 BCHE (0.39) BCHETDP1L3MBTL1
SCHEMBL1776277 0.82 SMN1; SMN2 (0.43) BCHETDP1L3MBTL1
SCHEMBL15602691 0.81 SMN1; SMN2 (0.38) MAPTBCHETDP1L3MBTL1FAAH

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-5145844-A Enzyme inhibitors, antiinflammatory agents, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-08 US disclosed
US-5030733-A Analgesics, antiinflammatory agents, phospholipase inhibitor HOECHST-ROUSSEL PHARMACETICALS INCORPORATED (US) 1991-07-09 US disclosed
EP-0300397-A2 Hydroxy-, Alkoxy- and Benzyloxy substituted phospholipids, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-25 EP disclosed