SCHEMBL26601784

SCHEMBL26601784

CC[C@@H](C)CCc1ccc(-c2ccc(CCc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MMP12 P39900 2/20 0.51
MMP13 P45452 2/20 0.51
CYP2A6 P11509 1/20 0.47
HRH3 Q9Y5N1 6/20 0.45
LOXL2 Q9Y4K0 2/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
KIF11 P52732 1/20 0.40
MMP3 P08254 2/20 0.39
MMP2 P08253 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL21096330 1.00 TSHR (0.55) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL23543251 1.00 TSHR (0.55) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL10773411 0.98 TSHR (0.57) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL10534508 0.98 TSHR (0.57) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL9144804 0.93 CYP2A6 (0.53) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL21096328 0.89 TSHR (0.62) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL11338413 0.89 TSHR (0.62) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL23543258 0.89 TSHR (0.62) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL26601759 0.89 TSHR (0.62) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL11412039 0.87 TSHR (0.59) TSHRHSD17B10MMP12MMP13CYP2A6

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-11796856-B1 Organic solid crystals having helical structures formed using cholesteric liquid crystals META PLATFORMS TECHNOLOGIES, LLC (US) 2023-10-24 US disclosed