SCHEMBL6255340

SCHEMBL6255340

CC(C)C1=CC(Cc2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
TAAR1 Q96RJ0 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC18A2 Q05940 1/20 0.36
LTA4H P09960 2/20 0.35
SLC6A2 P23975 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR2B P41595 1/20 0.33
CAPN1 P07384 1/20 0.33
IDH1 O75874 1/20 0.33
CYP2D6 P10635 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL12814742 0.81 CALM1 (0.37) CALM1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27933498 0.78 SLC6A2 (0.42) CALM1TAAR1SIGMAR1SLC18A2SLC6A2
SCHEMBL16458362 0.77 TACR1 (0.34) CALM1IDH1
SCHEMBL6255606 0.76 SIGMAR1 (0.42) CALM1TAAR1SIGMAR1SLC18A2SLC6A2
SCHEMBL6251956 0.76 CALM1 (0.42) CALM1TAAR1SIGMAR1LTA4HMAOA
SCHEMBL12814642 0.75 CYP3A4 (0.37) TAAR1SLC6A2SLC6A4SLC6A3HTR2B
SCHEMBL1028776 0.73 CALM1 (0.44) CALM1TAAR1SIGMAR1SLC18A2LTA4H
SCHEMBL6250272 0.73 TP53 (0.41) CALM1TAAR1SIGMAR1SLC18A2LTA4H
SCHEMBL6255348 0.71 CALM1 (0.38) CALM1TAAR1SIGMAR1LTA4HSLC6A2
Isopropyl Alcohol SCHEMBL8627714 0.71 SLC6A4 (0.38) CALM1TAAR1SIGMAR1SLC18A2LTA4H

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-0926150-B1 Production of alkali metal cyclopentadienylides and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylides HONSHU CHEMICAL IND (JP) 2005-09-07 EP disclosed
US-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed