SCHEMBL7723121

SCHEMBL7723121

C1=C(Cc2ccccc2)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.58
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
LTA4H P09960 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
IDH1 O75874 1/20 0.38
HTR2A P28223 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL184435 0.84 CALM1 (0.46) CALM1BCL2BCL2L1LTA4HTSHR
SCHEMBL6942518 0.76 MAOA (0.48) CALM1ALDH1A1LOXL2HTR2AHPGD
Diphenylmethane SCHEMBL1303 0.75 CALM1 (1.00) CALM1BCL2BCL2L1LTA4HTSHR
Diphenylmethane SCHEMBL28172316 0.75 CALM1 (1.00) CALM1BCL2BCL2L1LTA4HTSHR
Diphenylmethane SCHEMBL4361124 0.75 CALM1 (1.00) CALM1BCL2BCL2L1LTA4HTSHR
Diphenylmethane SCHEMBL3792579 0.75 CALM1 (1.00) CALM1BCL2BCL2L1LTA4HTSHR
Diphenylmethane SCHEMBL14763944 0.75 CALM1 (1.00) CALM1BCL2BCL2L1LTA4HTSHR
SCHEMBL4865931 0.72 CALM1 (0.44) CALM1BCL2BCL2L1LTA4HTSHR
SCHEMBL182272 0.72 CALM1 (0.44) CALM1BCL2BCL2L1LTA4HTSHR
SCHEMBL1934620 0.72 CALM1 (0.44) CALM1BCL2BCL2L1LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed