SCHEMBL30724103

SCHEMBL30724103

COc1ccc2c(c1)CCCC(CC(F)(F)F)C2=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.57
CYP27A1 Q02318 3/20 0.57
CYP26A1 O43174 3/20 0.55
CYP19A1 P11511 2/20 0.53
METAP1 P53582 2/20 0.50
NQO2 P16083 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ACHE P22303 2/20 0.46

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
SCHEMBL7590969 0.82 METAP1 (0.74) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL18988728 0.82 MTNR1A (0.61) NQO2MTNR1AMTNR1B
SCHEMBL22389339 0.82 MTNR1A (0.61) NQO2MTNR1AMTNR1B
SCHEMBL14286892 0.77 ACHE (0.55) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL5241361 0.76 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL630276 0.76 CYP24A1 (0.70) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL26063574 0.75 CYP24A1 (0.62) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL14159089 0.75 CYP24A1 (0.69) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL630429 0.75 CYP24A1 (0.57) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL14165623 0.75 CYP24A1 (0.66) CYP24A1CYP27A1CYP26A1CYP19A1METAP1

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
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed