SCHEMBL7639595

SCHEMBL7639595

CC(C)(C)c1cc(C2=Cc3cc4ccccc4cc3C2[Zr]C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=Cc3cc4ccccc4cc32)cc(C(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL7023536 0.84 RXRA (0.32) S1PR1S1PR3RXRARXRB
SCHEMBL6945629 0.81 RXRA (0.32) S1PR1S1PR3RXRARXRB
SCHEMBL6944235 0.81 RXRB (0.31) RXRB
SCHEMBL7639496 0.81 S1PR1 (0.31) S1PR1S1PR3KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL6942626 0.80 S1PR1 (0.33) S1PR1S1PR3
Hydrochloric Acid SCHEMBL6941544 0.80 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL6944595 0.78 S1PR1 (0.31) S1PR1S1PR3KDM4EGAAMAPT
SCHEMBL6944576 0.76 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL7025710 0.71 KIF11 (0.35) S1PR1
SCHEMBL7632084 0.70 CNR1 (0.35) S1PR1S1PR3RXRARXRB

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-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 US disclosed