SCHEMBL9486369

SCHEMBL9486369

CCCCCCCCC[N+](C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 4/20 0.50
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 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
SCHEMBL593010 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL9486435 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL1042003 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL1900543 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL5933161 1.00
SCHEMBL5606540 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL5932738 0.97
SCHEMBL1042256 0.80 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL2698662 0.80 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL7694903 0.76 TSHR (0.57) TSHRTHRBALDH1A1DNM1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322209-B1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP claimed
US-4954339-A ANTICHOLESTEROL AGENTS, SEQUESTERING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-04 US claimed
WO-1989005828-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-29 WO claimed
EP-0322209-A1 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-28 EP claimed
EP-0322209-B1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP disclosed
US-4954339-A ANTICHOLESTEROL AGENTS, SEQUESTERING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-04 US disclosed
WO-1989005828-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-29 WO disclosed
EP-0322209-A1 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-28 EP disclosed