SCHEMBL22693294

SCHEMBL22693294

CC(C)=CCNCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
XPO1 O14980 1/20 0.33
GLB1 P16278 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GGPS1 O95749 1/20 0.31
FDFT1 P37268 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL18601885 0.85 LMNA (0.34) ALOX15TSHRALDH1A1
Hydrochloric Acid SCHEMBL11144533 0.82 KDM1A (0.35) ALOX15TSHR
SCHEMBL11175804 0.76 ADH1B (0.39) ALOX15TSHRALDH1A1CYP2C19
SCHEMBL433370 0.74 KMT2A (0.35) ALOX15TSHRALDH1A1CYP3A4GGPS1
SCHEMBL2172460 0.73
SCHEMBL10045070 0.73 KDM1A (0.42) TSHRALDH1A1CYP1A2CYP2C19GGPS1
SCHEMBL12167806 0.73
Hydrochloric Acid SCHEMBL22575455 0.71 PAOX (0.35) GGPS1FDFT1ABCG2
SCHEMBL10892665 0.71
Bromide SCHEMBL30398337 0.71 PAOX (0.35) GGPS1FDFT1ABCG2

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-10844163-B2 Functional spirocyclic polymers and methods of preparation thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-24 US disclosed