SCHEMBL11578331

SCHEMBL11578331

CC(C)c1cc(CCC(CCc2cc(C(C)C)c(O)c(C(C)C)c2)NCCNC(CCc2cc(C(C)C)c(O)c(C(C)C)c2)CCc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
GABRA1 P14867 5/20 0.46
GABRB1 P18505 5/20 0.46
GABRB2 P47870 3/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRA6 Q16445 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPT P10636 1/20 0.40
TRPA1 O75762 1/20 0.39
GAA P10253 2/20 0.39
DHFR P00374 1/20 0.36
MAPK1 P28482 1/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL6419829 0.78 GSR (0.53) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL11581160 0.77 GABRA1 (0.34) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL10630163 0.75 GSR (0.50) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL11579006 0.75 KMT2A (0.49) GSRCA1CA2MAPTGAA
SCHEMBL13057520 0.74 GSR (0.57) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL2854879 0.73 GSR (0.61) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL4594369 0.72 GSR (0.55) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL4595014 0.72 GSR (0.55) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL2467528 0.71 GSR (0.63) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL11810825 0.71 GSR (0.53) GSRGABRA1GABRB1GABRB2GABRA5

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
US-4098764-A STABILIZERS UNIROYAL, INC. (US) 1978-07-04 US disclosed
US-3996194-A STABILIZERS UNIROYAL INC. (US) 1976-12-07 US disclosed