SCHEMBL7790127

SCHEMBL7790127

C/C(=C\CCC(C)CCOCc1ccccc1)CCl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 1/20 0.35
NFE2L2 Q16236 1/20 0.34
CTSB P07858 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7790130 1.00 HTT (0.36) HTTSMN1; SMN2TSHRALOX15CYP2C19
SCHEMBL7781148 0.95 LSS (0.40) HTTSMN1; SMN2ALOX15
SCHEMBL7781152 0.95 LSS (0.40) HTTSMN1; SMN2ALOX15
SCHEMBL7930882 0.86 ALOX15 (0.49) HTTSMN1; SMN2TSHRALOX15CYP2C19
SCHEMBL7788732 0.81 LSS (0.37) ALOX15MPOTPOCYP3A4
SCHEMBL7788734 0.81 LSS (0.37) ALOX15MPOTPOCYP3A4
SCHEMBL7785617 0.79 LSS (0.38) ALOX15CTSB
SCHEMBL7785615 0.79 LSS (0.38) ALOX15CTSB
SCHEMBL29217260 0.77 TSHR (0.42) HTTSMN1; SMN2TSHRCYP2C19CTSB
SCHEMBL11034467 0.74 NFE2L2 (0.35) ALOX15CYP2C19NFE2L2

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
EP-0873982-B1 Process for preparing polyprenols KURARAY CO (JP) 2001-10-31 EP disclosed
US-5981811-A DEHALOGENATING A TERMINAL ALLYL HALIDE, THEREBY FORMING A CARBON-CARBON DOUBLE BOND AT A SELECTED POSITION KURARAY CO., LTD. (JP) 1999-11-09 US disclosed
EP-0873982-A1 Process for preparing polyprenols KURARAY CO., LTD. (JP) 1998-10-28 EP disclosed