SCHEMBL8024877

SCHEMBL8024877

Cc1cccc2c1C=CC2[Ti]

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2C P28335 3/20 0.32
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL8024871 0.79 KDM4E (0.31) MEN1KMT2A
SCHEMBL1025201 0.78 ALDH1A1 (0.36) CYP1A2CYP2A6HTR2CALDH1A1CA1
Bromide SCHEMBL8673204 0.78 KDM4E (0.30) MEN1KMT2A
Hydrochloric Acid SCHEMBL9440324 0.75 HTR2C (0.34) CYP1A2CYP2A6HTR2CALDH1A1CA1
SCHEMBL8038515 0.75 GABRA1 (0.38) MEN1KMT2A
SCHEMBL8024794 0.75 MEN1 (0.32) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4634124 0.73 ALDH1A1 (0.33) CYP1A2CYP2A6HTR2CALDH1A1CA1
SCHEMBL7056170 0.73 HTR2C (0.32) CYP1A2CYP2A6HTR2CALDH1A1CA1
SCHEMBL6454970 0.73 HTR2C (0.31) CYP1A2CYP2A6HTR2CALDH1A1CA1
Lithium SCHEMBL9143917 0.73 ALDH1A1 (0.31) CYP1A2CYP2A6HTR2CALDH1A1CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796875-B1 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM SPA (IT) 2000-03-29 EP disclosed
US-5721327-A Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.P.A. (IT) 1998-02-24 US disclosed
EP-0796875-A2 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed