SCHEMBL8388461

SCHEMBL8388461

Cc1cc(C)c(C(C)(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TYR P14679 1/20 0.42
RAPGEF4 Q8WZA2 4/20 0.41
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSPA5 P11021 1/20 0.33

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
SCHEMBL22914917 1.00 ALDH1A1 (0.42) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL18957772 0.84 RAPGEF4 (0.39) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL27974118 0.84 ALDH1A1 (0.52) ALDH1A1CA2POLBSMN1; SMN2TYR
Carbamic Acid SCHEMBL3190899 0.83 KDM4E (0.48) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL5353185 0.82 CA2 (0.34) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL21993465 0.82 ALDH1A1 (0.48) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL12597845 0.82 L3MBTL1 (0.43) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL5351991 0.82 CA2 (0.34) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL394947 0.82 CA2 (0.39) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL12597851 0.82 CA2 (0.34) ALDH1A1CA2POLBSMN1; SMN2TYR

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-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed