SCHEMBL8764221

SCHEMBL8764221

CCOC(=O)C1C2CC(Cc3ccc(-c4ccccc4)cc3)C(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP26A1 O43174 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8472350 0.85 ALDH1A1 (0.43) L3MBTL1TSHRRAB9AKDM4EALDH1A1
SCHEMBL8907681 0.81 ALDH1A1 (0.41) L3MBTL1CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL8891866 0.80 KDM4E (0.45) CYP1A2CYP2C19TSHRKDM4EALDH1A1
SCHEMBL8471428 0.79 MAPT (0.49) L3MBTL1TSHRRAB9AKDM4EALDH1A1
SCHEMBL8764485 0.78 GRM2 (0.41) L3MBTL1TSHRKDM4EALDH1A1MEN1
SCHEMBL8763820 0.78 GRM2 (0.41) L3MBTL1TSHRKDM4EALDH1A1MEN1
SCHEMBL8764408 0.78 GRM2 (0.41) L3MBTL1TSHRKDM4EALDH1A1MEN1
SCHEMBL8892774 0.77 CA1 (0.48) ATMTSHRKDM4EALDH1A1HPGD
SCHEMBL8892095 0.77 TSHR (0.38) CYP1A2CYP2C19TSHRKDM4EALDH1A1
SCHEMBL8764454 0.74 MDM2 (0.36) CYP1A2CYP2C19TSHRKDM4EALDH1A1

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
WO-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed