SCHEMBL5885252

SCHEMBL5885252

CCCCN(C)CC(C)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 4/20 0.46
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
KDM4C Q9H3R0 6/20 0.35
KDM5A P29375 4/20 0.35
TSHR P16473 1/20 0.35
KDM4A O75164 2/20 0.33
DNM1 Q05193 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
FDPS P14324 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 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
SCHEMBL18612600 1.00 GGPS1 (0.46) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL18935658 0.91 GGPS1 (0.56) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9651649 0.91 GGPS1 (0.56) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10880822 0.91 GGPS1 (0.56) GGPS1S1PR2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL27901030 0.89 GGPS1 (0.55) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10398049 0.87 GGPS1 (0.36) GGPS1TSHRALDH1A1
SCHEMBL15830520 0.85
SCHEMBL13295125 0.85
SCHEMBL17933337 0.83 GGPS1 (0.47) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL11790009 0.82 PIK3CD (0.39) GGPS1TSHRALDH1A1

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-7022257-B1 Coating composition and floor material coated with said composition SHIN-NAKAMURA CHEMICAL CO., LTD. (JP) 2006-04-04 US disclosed