Hexane

Hexane

SCHEMBL28974299

CCCCCC.O=C(c1ccccc1)c1c(Oc2ccccc2)c(C(=O)c2ccccc2)c(-c2ccccc2)c(C(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
HDAC3 O15379 1/20 0.42
LTA4H P09960 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.40
POLB P06746 1/20 0.39
ATM Q13315 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
SCHEMBL30216966 0.90 SRD5A2 (0.47) MAPTALDH1A1NPSR1GAASRD5A2
SCHEMBL6328100 0.76 GCGR (0.46) CNR2LMNAMAPTCES2CES1
SCHEMBL6328108 0.75 GCGR (0.45) CNR2LMNAMAPTCES2CES1
Benzophenone SCHEMBL23014697 0.73 ALDH1A1 (0.67) CNR2LMNACES2CES1ALDH1A1
SCHEMBL27513901 0.72 GCGR (0.48) CNR2MAPTCES2CES1ALDH1A1
SCHEMBL27514238 0.72 GAA (0.47) CNR2LMNAMAPTCES2CES1
Benzophenone SCHEMBL27879973 0.71 ALDH1A1 (0.64) CNR2LMNAMAPTCES2CES1
Benzophenone SCHEMBL28860378 0.71 ALDH1A1 (0.64) CNR2LMNAMAPTCES2CES1
Tetradecane SCHEMBL27879974 0.71 ALDH1A1 (0.64) CNR2LMNAMAPTCES2CES1
SCHEMBL6326367 0.70 MAPT (0.44) CNR2LMNAMAPTCES2CES1

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
CN-115863924-A COFs modified AAO membrane, preparation method thereof and sodium-ion battery 东营昆宇电源科技有限公司 2023-03-28 CN claimed
CN-115863924-A COFs modified AAO membrane, preparation method thereof and sodium-ion battery 东营昆宇电源科技有限公司 2023-03-28 CN disclosed