SCHEMBL8640674

SCHEMBL8640674

CCCCCC1CCC(C2=CCC(O)(c3ccc(OC)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR1 P21453 5/20 0.33
SGPL1 O95470 2/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A11 P48066 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CCR1 P32246 1/20 0.32
GRM2 Q14416 1/20 0.32
S1PR4 O95977 1/20 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
SCHEMBL8640671 1.00 ALDH1A1 (0.36) ALDH1A1SLC6A4SLC6A3LMNAMEN1
SCHEMBL8639643 0.89 SLC6A4 (0.41) SLC6A4SLC6A3CCR1
SCHEMBL8639639 0.89 SLC6A4 (0.41) SLC6A4SLC6A3CCR1
SCHEMBL8638501 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2AS1PR1SGPL1
SCHEMBL8638506 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2AS1PR1SGPL1
SCHEMBL8638481 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2AS1PR1SGPL1
SCHEMBL8638484 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2AS1PR1SGPL1
SCHEMBL8639661 0.86 OPRL1 (0.38) MEN1KMT2AS1PR1SGPL1OPRM1
SCHEMBL8639656 0.86 OPRL1 (0.38) MEN1KMT2AS1PR1SGPL1OPRM1
SCHEMBL8641146 0.86 OPRL1 (0.36) MEN1KMT2AS1PR1SGPL1OPRM1

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-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
US-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed