SCHEMBL9063003

SCHEMBL9063003

C=CCC(C)C=CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 1/20 0.46
PTGS1 P23219 1/20 0.44
PPARG P37231 1/20 0.44
OPRK1 P41145 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ASAH2 Q9NR71 1/20 0.41
MAPT P10636 3/20 0.40
CETP P11597 3/20 0.40
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 2/20 0.40
CXCR5 P32302 2/20 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
SCHEMBL2571687 0.98 TSHR (0.50) TSHRMEN1KMT2ACYP3A4PTGS1
SCHEMBL6055364 0.94 TSHR (0.46) TSHRMEN1KMT2ACYP3A4PTGS1
SCHEMBL27633251 0.85 TSHR (0.42) TSHRALDH1A1
SCHEMBL6915220 0.81 TSHR (0.54) TSHRMEN1KMT2ACYP3A4PTGS1
SCHEMBL6573273 0.81 TSHR (0.54) TSHRMEN1KMT2ACYP3A4PTGS1
SCHEMBL2417464 0.80 FAAH (0.52) TSHRMEN1KMT2ACYP3A4ASAH2
SCHEMBL2416670 0.80 FAAH (0.52) TSHRMEN1KMT2ACYP3A4ASAH2
SCHEMBL2416668 0.80 FAAH (0.52) TSHRMEN1KMT2ACYP3A4ASAH2
SCHEMBL5138550 0.79 TSHR (0.57) TSHRMEN1KMT2ACYP3A4PTGS1
SCHEMBL28150478 0.79 TSHR (0.47) TSHRMEN1KMT2ACYP3A4PTGS1

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
WO-1996016123-A1 POLYAMIDE RESIN COMPOSITION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-05-30 WO disclosed