SCHEMBL28649658

SCHEMBL28649658

CC1(OC2CCCCO2)CC(CSc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
DRD4 P21917 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.33
CRBN Q96SW2 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
MDM2 Q00987 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL21885839 0.79 CYP1A2 (0.44) HSD17B10TSHRALDH1A1RAB9ANPC1
SCHEMBL21826830 0.79 CYP1A2 (0.44) HSD17B10TSHRALDH1A1RAB9ANPC1
SCHEMBL9467587 0.73 HPGD (0.39) HSD17B10TSHRALDH1A1RAB9ANPC1
SCHEMBL21885843 0.73 APLNR (0.31)
SCHEMBL21826838 0.73 APLNR (0.31)
SCHEMBL21886048 0.68 CA12 (0.31)
SCHEMBL21826873 0.68 CA12 (0.31)
SCHEMBL9626734 0.68 HPGD (0.39) HSD17B10TSHRALDH1A1HPGDKDM4C
SCHEMBL16831456 0.67 MEN1 (0.31) RAB9ANPC1KDM4CMEN1KMT2A
SCHEMBL10579376 0.66 KDM4C (0.39) HSD17B10TSHRALDH1A1RAB9ANPC1

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-113490668-A Compounds and compositions for treating diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2021-10-08 CN disclosed