SCHEMBL5375196

SCHEMBL5375196

C=CCCCCC=CC(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PTGS1 P23219 1/20 0.38
PPARG P37231 1/20 0.38
OPRK1 P41145 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
CETP P11597 3/20 0.33
GMNN O75496 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 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
SCHEMBL16339406 0.96 TSHR (0.46) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL16339407 0.96 TSHR (0.46) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL5138550 0.89 TSHR (0.57) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL29103340 0.87 TSHR (0.42) TSHRALDH1A1
SCHEMBL6915220 0.86 TSHR (0.54) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL6573273 0.86 TSHR (0.54) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL2551676 0.86 TSHR (0.50) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL2780650 0.85 TSHR (0.44) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL2007244 0.85 MEN1 (0.47) ALDH1A1MAPTLMNACYP3A4MEN1
SCHEMBL2007242 0.85 MEN1 (0.47) ALDH1A1MAPTLMNACYP3A4MEN1

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
US-7238395-B2 Method of coating the surface of an inorganic substrates with an organic material and the product obtained NKT RESEARCH A/S (DK) 2007-07-03 US disclosed