SCHEMBL28008290

SCHEMBL28008290

CCCCCCCCC1(CCCCCCCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
DNM1 Q05193 6/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL2807710 0.97 TSHR (0.41) TSHRTHRBDNM1LMNASLC22A1
Ammonia Solution, Strong SCHEMBL27517072 0.94 TSHR (0.39) TSHRTHRBDNM1LMNASLC22A1
SCHEMBL14109879 0.89 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9353905 0.89 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL28859416 0.89 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL25393764 0.89 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL21805758 0.89 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL25374028 0.88 LMNA (0.59) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL23533453 0.88 LMNA (0.46) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL14621098 0.88 DNM1 (0.46) TSHRTHRBDNM1ALDH1A1MEN1

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
CN-102282134-B Methods of preparing quinoline derivatives EXELIXIS INC 2015-04-01 CN disclosed