SCHEMBL30232114

SCHEMBL30232114

CC(C)(CO)COC(=O)C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 11/20 0.35
KDM4E B2RXH2 6/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21134122 0.81 HPGD (0.41) HPGDNPSR1TSHRTP53NPC1
SCHEMBL30289815 0.80 HPGD (0.46) HPGDNPSR1TSHRTP53NPC1
SCHEMBL4911523 0.80 HPGD (0.46) HPGDNPSR1TSHRTP53NPC1
SCHEMBL2847821 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10SMN1; SMN2MAPTMEN1
SCHEMBL1813924 0.75 HPGD (0.50) HPGDNPSR1TSHRTP53NPC1
SCHEMBL8626242 0.75 HPGD (0.50) HPGDNPSR1TSHRTP53NPC1
SCHEMBL8627456 0.75 HPGD (0.50) HPGDNPSR1TSHRTP53NPC1
SCHEMBL22480289 0.75 HPGD (0.42) HPGDNPSR1TSHRTP53NPC1
SCHEMBL28075374 0.74 HPGD (0.42) HPGDNPSR1TSHRNPC1RAB9A
SCHEMBL20599622 0.73 ALDH1A1 (0.43) HPGDNPSR1TSHRTP53NPC1

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
WO-2023033127-A1 EMULSION COMPOSITION, AND SKIN TOPICAL AGENT AND COSMETIC CONTAINING SAID COMPOSITION 富士フイルム和光純薬株式会社 2023-03-09 WO disclosed