SCHEMBL28531024

SCHEMBL28531024

CC=C(C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.43
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
EPHX2 P34913 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL28223255 0.79 CHRNA7 (0.49) HSD11B1KMT2AUSP2EPHX2MEN1
SCHEMBL28995213 0.78 AKR1C3 (0.49) HSD11B1KMT2AEPHX2CTSVCTSL
SCHEMBL9847999 0.74 EPHX2 (0.45) HSD11B1KMT2AUSP2EPHX2CTSV
SCHEMBL20768339 0.73 HSD11B1 (0.44) HSD11B1EPHX2
SCHEMBL2048794 0.71 TSHR (0.54) KMT2AMEN1HPGD
SCHEMBL4013088 0.71 TSHR (0.54) KMT2AMEN1HPGD
SCHEMBL7807838 0.71 TSHR (0.54) KMT2AMEN1HPGD
SCHEMBL24361096 0.70 HSD11B1 (0.48) HSD11B1EPHX2
SCHEMBL27934937 0.70 KMT2A (0.61) KMT2AMEN1HPGD
SCHEMBL8395211 0.69 HSD11B1 (0.47) HSD11B1EPHX2

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-112480305-A Adamantyl phenyl sulfonate based polymeric flame retardant, preparation method and application 广东知塑新材料有限公司 2021-03-12 CN claimed
CN-112480305-A Adamantyl phenyl sulfonate based polymeric flame retardant, preparation method and application 广东知塑新材料有限公司 2021-03-12 CN disclosed