SCHEMBL10697670

SCHEMBL10697670

COc1ccc(CCCCC2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8803380 0.95 CALM1 (0.51) CALM1IGF1RALOX15MEN1KMT2A
SCHEMBL8805151 0.88 DRD2 (0.53) CALM1TAAR1SIGMAR1DRD2DRD4
SCHEMBL10686363 0.86 ALDH1A1 (0.50) CALM1TAAR1DRD2DRD4DRD3
SCHEMBL10686361 0.86 ALDH1A1 (0.50) CALM1TAAR1DRD2DRD4DRD3
SCHEMBL9827273 0.84 ALOX15 (0.44) CALM1IGF1RALOX15MEN1KMT2A
SCHEMBL18230822 0.83 PKM (0.61) CALM1IGF1RALOX15MEN1KMT2A
SCHEMBL14277958 0.81 PPARA (0.42) CALM1IGF1RALOX15TAAR1SIGMAR1
SCHEMBL4254058 0.80 CALM1 (0.72) CALM1IGF1RALOX15TAAR1SIGMAR1
SCHEMBL8482733 0.80 SMN1; SMN2 (0.53) CALM1IGF1RALOX15MEN1KMT2A
SCHEMBL8802834 0.79 MEN1 (0.45) MEN1KMT2ASIGMAR1TDP1L3MBTL1

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
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed