SCHEMBL9016938

SCHEMBL9016938

COc1cc2c(cc1OC)C([Zr](Cl)Cl)C=C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
CCL2 P13500 1/20 0.40
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAOA P21397 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
SCHEMBL10592968 0.76 BRD4 (0.42) BRD4CYP3A4
SCHEMBL6238370 0.72 KDM4C (0.38) BRD4CCL2CYP3A4TSHR
SCHEMBL7032000 0.72 BRD4 (0.42) BRD4CCL2CYP3A4LMNATSHR
SCHEMBL9016934 0.72 BRD4 (0.42) BRD4CCL2CYP3A4LMNATSHR
SCHEMBL28130908 0.72 BRD4 (0.42) BRD4CCL2CYP3A4LMNATSHR
SCHEMBL28131615 0.72 BRD4 (0.42) BRD4CCL2CYP3A4LMNATSHR
SCHEMBL7826476 0.71 BRD4 (0.40) BRD4CCL2CYP3A4LMNATSHR
Hydrochloric Acid SCHEMBL9016936 0.70 BRD4 (0.41) BRD4CCL2CYP3A4LMNATSHR
SCHEMBL4777746 0.69 CHRNB2 (0.30)
SCHEMBL8041045 0.69 BRD4 (0.41) BRD4CCL2CYP3A4LMNATSHR

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