SCHEMBL30179464

SCHEMBL30179464

CCCCCCCCc1cc(-c2ccccc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
DHFR P00374 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
LTB4R Q15722 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL21391973 1.00 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL29061720 0.93 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL2600215 0.86 ALDH1A1 (0.50) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL18309102 0.80 ALDH1A1 (0.38) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL18876270 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL18876266 0.78 HPGD (0.36) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL12531530 0.78 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL842665 0.78 CYP3A4 (0.46) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL18876355 0.78 ALDH1A1 (0.39) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL18876464 0.77 GPR84 (0.38) ALDH1A1MAPTGAAHPGDKDM4E

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
CN-111324011-B Reactive alkali-soluble resin, resin composition containing same and application 北京鼎材科技有限公司 2023-01-10 CN disclosed