SCHEMBL9016934

SCHEMBL9016934

COc1cc2c(cc1OC)C([SiH3])C=C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
CCL2 P13500 1/20 0.42
CYP3A4 P08684 2/20 0.39
MAOA P21397 4/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.30
ACHE P22303 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL28131615 0.76 BRD4 (0.42) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL7032000 0.76 BRD4 (0.42) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL28130908 0.76 BRD4 (0.42) BRD4CCL2CYP3A4MAOALMNA
Hydrochloric Acid SCHEMBL9016936 0.74 BRD4 (0.41) BRD4CCL2CYP3A4MAOALMNA
Hydrochloric Acid SCHEMBL7823998 0.73 BRD4 (0.41) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL8041045 0.73 BRD4 (0.41) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL9016938 0.72 BRD4 (0.40) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL7826476 0.72 BRD4 (0.40) BRD4CCL2CYP3A4MAOALMNA
SCHEMBL8041103 0.67 BRD4 (0.36) BRD4CCL2CYP3A4CA2
SCHEMBL18287893 0.66 CYP3A4 (0.50) BRD4CCL2CYP3A4MAOALMNA

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
US-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed