SCHEMBL7752553

SCHEMBL7752553

CC(C)CCCCCCCCCCCCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
LMNA P02545 4/20 0.43
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
GPR84 Q9NQS5 4/20 0.35
CYP2D6 P10635 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL9462115 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL19206303 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL9462521 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL9462430 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL29602471 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL9462317 1.00 THRB (0.46) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL31558046 0.97 THRB (0.48) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL4196461 0.92 THRB (0.48) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL28900807 0.91 THRB (0.44) THRBLMNACYP3A4USP2SMN1; SMN2
SCHEMBL11148803 0.86 LMNA (0.50) LMNAACACBACACATRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001039766-A2 SCREENING INVERTEBRATE PHEROMONES FOR THERAPEUTIC ACTIVITY ALYDAR PHARMACEUTICALS LTD. (IL) 2001-06-07 WO claimed
US-5190978-A Carcinostatic compositions and methods DAI-ICHI KOGYO SEIYAKU CO. LTD. (JP) 1993-03-02 US disclosed