SCHEMBL28965671

SCHEMBL28965671

COC(=O)N1C(=O)C(C)(C)c2c(C)cccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.44
BCHE P06276 3/20 0.43
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MYC P01106 1/20 0.36
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 1/20 0.35
ABHD10 Q9NUJ1 1/20 0.35
ATM Q13315 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL28965760 0.79 P2RX4 (0.38) P2RX4BCHEPKMKDM4EABHD10
SCHEMBL29075988 0.78 RECQL (0.40) P2RX4BCHEALDH1A1KDM4EHPGD
SCHEMBL29267745 0.78 KDM4E (0.35) P2RX4BCHEPKMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28965723 0.78 P2RX4 (0.37) P2RX4BCHEPKMABHD10ATM
SCHEMBL28965582 0.78 P2RX4 (0.37) P2RX4BCHEALDH1A1ABHD10ATM
SCHEMBL29267728 0.78 P2RX4 (0.32) P2RX4BCHEABHD10ATM
SCHEMBL28050747 0.72 OPRM1 (0.44) TP53ALDH1A1KDM4EHPGDMAPT
SCHEMBL28965657 0.72 ELANE (0.35) P2RX4HPGD
SCHEMBL28965660 0.71 CA12 (0.38)
SCHEMBL3072283 0.69 P2RX4 (0.60) P2RX4BCHEALDH1A1

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-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 CN disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed