SCHEMBL5435517

SCHEMBL5435517

C=CCCCC=CCOC(OCC=CCCCC=C)OCC=CCCCC=C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2867169 0.83 TSHR (0.36) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL2867171 0.83 TSHR (0.36) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL5442746 0.82
SCHEMBL10955082 0.79 USP2 (0.35) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL875951 0.79 MAPT (0.38) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL2286811 0.78 TSHR (0.38) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL534005 0.78 TSHR (0.38) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL6731503 0.77 ALDH1A1 (0.50) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL6731505 0.77 ALDH1A1 (0.50) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL6720512 0.77 ALDH1A1 (0.50) TSHRALDH1A1USP2LMNACYP3A4

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-20070004825-A1 Reactive diluents THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-01-04 US disclosed