SCHEMBL8090904

SCHEMBL8090904

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 2/20 0.35
LMNA P02545 2/20 0.35
SORT1 Q99523 1/20 0.33
SLC6A2 P23975 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
LTA4H P09960 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
SCHEMBL8087900 0.74 TP53 (0.40) CALM1TSHRCYP2D6LMNASORT1
SCHEMBL8092853 0.72 CNR2 (0.37) CALM1CYP2D6SORT1SLC6A2TAAR1
Hydrochloric Acid SCHEMBL18585839 0.72 CALM1 (0.37) CALM1TSHRCYP2D6LMNASORT1
SCHEMBL8079473 0.71 CALM1 (0.35) CALM1SORT1TAAR1MAOAMAOB
SCHEMBL8088069 0.70 TAAR1 (0.37) CALM1CYP2D6LMNASORT1SLC6A2
SCHEMBL8079685 0.69 SIGMAR1 (0.36) CALM1HPGDALDH1A1SMN1; SMN2
SCHEMBL2236963 0.67 CALM1 (0.38) CALM1LMNASORT1TAAR1MAOA
SCHEMBL19102829 0.64 CALM1 (0.55) CALM1TSHRCYP2D6LMNASORT1
SCHEMBL5082503 0.63 ACHE (0.46) CALM1MAOAMAOB
SCHEMBL8090979 0.63 CALM1 (0.42) CALM1SORT1MAOAMAOBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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