SCHEMBL9306794

SCHEMBL9306794

Ic1ccc(-c2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
APP P05067 2/20 0.47
LTA4H P09960 3/20 0.45
TAAR1 Q96RJ0 2/20 0.44
IDH1 O75874 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
LMNA P02545 2/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
SLC22A2 O15244 1/20 0.41
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
ABCC4 O15439 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4511 0.93 CALM1 (0.67) CALM1CA12CA1CA2CA9
SCHEMBL16848643 0.90 CYP3A4 (0.44) CALM1CA12CA1CA2CA9
SCHEMBL9305877 0.90 CYP3A4 (0.44) CALM1CA12CA1CA2CA9
SCHEMBL198432 0.87 CALM1 (0.75) CALM1CA12CA1CA2CA9
SCHEMBL27326 0.85 CALM1 (0.71) CALM1CA12CA1CA2CA9
Methane SCHEMBL9562367 0.82 CALM1 (0.67) CALM1CA12CA1CA2CA9
SCHEMBL269952 0.82 CALM1 (0.65) CALM1CA12CA1CA2CA9
Tannin Pyrogallol SCHEMBL29187616 0.82 CALM1 (0.75) CALM1CA12CA1CA2CA9
SCHEMBL5491719 0.82 CYP3A4 (0.50) CALM1APPIDO1TSHRALDH1A1
SCHEMBL9440416 0.80 ESR1 (0.50) CA1CA2CA9APPALDH1A1

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
JP-6072918-A None JP disclosed
JP-H0672918-A BENZYLDIPHENYL IODIDE AND ITS PRODUCTION MINOLTA CAMERA CO LTD 1994-03-15 JP disclosed