SCHEMBL9359481

SCHEMBL9359481

CC1=C(c2ccccc2)C(C)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 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
SCHEMBL6569636 0.86 ALDH1A1 (0.40) LMNAPDE4BALDH1A1PTGS2L3MBTL1
SCHEMBL28503247 0.79 PDCD1 (0.35) ALDH1A1MAPT
SCHEMBL11527348 0.79 PTGS2 (0.33) PDE4BPTGS2CRHBPCRHR2MAPT
SCHEMBL28494645 0.78 TACR1 (0.38) PDE4BALDH1A1MAPT
SCHEMBL28503245 0.78 ALDH1A1 (0.34) LMNAALDH1A1L3MBTL1MAPT
SCHEMBL9250727 0.76 ALDH1A1 (0.35) LMNAALDH1A1PTGS2CRHBPCRHR2
SCHEMBL3686925 0.76 ALDH1A1 (0.35) LMNAALDH1A1PTGS2CRHBPCRHR2
SCHEMBL31645549 0.72 ALDH1A1 (0.38) LMNAALDH1A1PTGS2TSHRMAPT
SCHEMBL9978305 0.71 ALDH1A1 (0.35) LMNAPDE4BALDH1A1CRHBPCRHR2
SCHEMBL10504794 0.69 LMNA (0.34) LMNAPDE4BALDH1A1MAPT

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-0345653-B1 Transition metal complex BASF AG (DE) 1994-10-26 EP disclosed
US-5103065-A TRANSITION METAL COMPLEXES AS CATALYSTS FOR HYDROGENATION HYDROFORMYLATION AND CYCLOTRIMERIZATION BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-4999443-A Transition metal complexes BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed