SCHEMBL2774680

SCHEMBL2774680

C=CCCCCCCCC(Br)CC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 4/20 0.42
USP2 O75604 4/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
ABCC4 O15439 1/20 0.34
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.32
RECQL P46063 1/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL27805563 1.00 TSHR (0.50) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL756765 0.91
SCHEMBL17728702 0.86 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL11042961 0.85 TSHR (0.54) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL11040148 0.85 TSHR (0.60) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL28975660 0.85 TSHR (0.67) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL2703184 0.82 TSHR (0.42) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL19439531 0.81 LCK (0.37) LMNA
SCHEMBL30319223 0.80 TSHR (0.41) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL2138880 0.79 TSHR (0.39) TSHRALDH1A1USP2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956705-B2 Ferroelectric liquid crystal (FLC) polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-17 US disclosed
US-20100220279-A1 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS NATIONAL SCIENCE FOUNDATION 2010-09-02 US disclosed
WO-2010088333-A2 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-08-05 WO disclosed