SCHEMBL7036784

SCHEMBL7036784

C=CCc1cccc(C=C)c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CALM1 P0DP23 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CASP3 P42574 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL28168750 0.88 HTR2A (0.40) CALM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9631883 0.84 GABRA1 (0.43) GABRA1GABRB2CALM1KDM4EHTR2A
SCHEMBL10791795 0.84 CALM1 (0.46) CALM1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7219053 0.82 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL10776496 0.80 IDH1 (0.40) GABRA1GABRB2CALM1ALDH1A1HTR2A
SCHEMBL11877132 0.80 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL10599247 0.79 GABRA1 (0.46) GABRA1GABRB2CALM1MEN1KMT2A
SCHEMBL28379576 0.78 ALDH1A1 (0.38) CALM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16334907 0.77 TP53 (0.38) CALM1ALDH1A1HTR2A
SCHEMBL25423951 0.76 GABRA1 (0.40) GABRA1GABRB2ALDH1A1LMNA

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
US-6779215-B2 Power toothbrush MCNEIL-PPC, INC. 2004-08-24 US disclosed
US-20030182745-A1 Power toothbrush JOHNSON & JOHNSON CONSUMER INC. 2003-10-02 US disclosed
EP-1348400-A1 Power toothbrush McNEIL-PPC, INC. (US) 2003-10-01 EP disclosed