SCHEMBL29664183

SCHEMBL29664183

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL1680041 1.00 PGR (0.34) PGRHTTMEN1KMT2AKDM4E
SCHEMBL3147233 0.98 PGR (0.33) PGRHTTMEN1KMT2AKDM4E
SCHEMBL25844403 0.96 GPR84 (0.34) PGRHTTMEN1KMT2AKDM4E
SCHEMBL25604650 0.96 GPR84 (0.34) PGRHTTMEN1KMT2AKDM4E
SCHEMBL25844384 0.96 PGR (0.32) PGRHTTMEN1KMT2AKDM4E
SCHEMBL25844358 0.95 LTA4H (0.35) PGRHTTKDM4EALDH1A1GPR84
SCHEMBL25604114 0.95 PGR (0.32) PGRHTTMEN1KMT2AALDH1A1
SCHEMBL25954890 0.94 PGR (0.31) PGRALDH1A1
SCHEMBL25954155 0.94 PGR (0.31) PGR
SCHEMBL25954525 0.94 PGR (0.31) PGR

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-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed