SCHEMBL9315797

SCHEMBL9315797

CC/C=[C]\CCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.42
NAAA Q02083 1/20 0.36
PTPN7 P35236 4/20 0.35
HMGCR P04035 1/20 0.35
KCNH2 Q12809 1/20 0.34
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3897705 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL10717466 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL27710723 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8187522 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8187524 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL3897707 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL10717470 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8750140 0.97
SCHEMBL3899481 0.89
SCHEMBL23647759 0.82 TSHR (0.44) TSHRTHRBHMGCRDNM1

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-0576605-A4 COMPOSITIONS AND METHOD COMPRISING AMINOALCOHOL DERIVATIVES AS MEMBRANE PENETRATION ENHANCERS RAJADHYAKSHA VITHAL J (US) 1994-06-08 EP disclosed
EP-0576605-A1 COMPOSITIONS AND METHOD COMPRISING AMINOALCOHOL DERIVATIVES AS MEMBRANE PENETRATION ENHANCERS THERAPEUTIC PATCH RESEARCH N.V. (US) 1994-01-05 EP disclosed
WO-1992016236-A1 COMPOSITIONS AND METHOD COMPRISING AMINOALCOHOL DERIVATIVES AS MEMBRANE PENETRATION ENHANCERS RAJADHYAKSHA VITHAL J (US) 1992-10-01 WO disclosed