SCHEMBL9066802

SCHEMBL9066802

[Li]C1=C(c2ccc(C(C)(C)C)cc2)C=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
TSHR P16473 1/20 0.35
HTR1D P28221 1/20 0.35
ADRA1A P35348 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
LMNA P02545 2/20 0.34
TYR P14679 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.32
XDH P47989 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
FGF23 Q9GZV9 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 2/20 0.31
KMT2A Q03164 2/20 0.31
MITF O75030 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
SCHEMBL9065742 0.76 KIF11 (0.39) KIF11TSHRHTR1DADRA1ANISCH
Hydrochloric Acid SCHEMBL9343015 0.75 KIF11 (0.36) KIF11TSHRHTR1DADRA1ANISCH
Hydrochloric Acid SCHEMBL7572285 0.75 KIF11 (0.38) KIF11TSHRHTR1DADRA1ANISCH
Hydrochloric Acid SCHEMBL9343012 0.75 KIF11 (0.40) KIF11TSHRHTR1DADRA1ANISCH
SCHEMBL3423876 0.67 KIF11 (0.70) KIF11TSHRHTR1DADRA1ANISCH
SCHEMBL26915 0.67 KIF11 (0.70) KIF11TSHRHTR1DADRA1ANISCH
SCHEMBL1931781 0.65 KIF11 (0.67) KIF11TSHRHTR1DADRA1ANISCH
Formaldehyde SCHEMBL27590840 0.64 SLC6A2 (0.37) KIF11TSHRHTR1DADRA1ANISCH
Formaldehyde SCHEMBL27609606 0.64 TSHR (0.38) KIF11TSHRHTR1DADRA1ANISCH
SCHEMBL424728 0.64 TSHR (0.73) KIF11TSHRLMNATYRNPC1

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-0540108-B1 Catalyst composition SHELL INT RESEARCH (NL) 1996-01-03 EP disclosed
US-5279999-A Catalyst composition SHELL OIL COMPANY (US) 1994-01-18 US disclosed
EP-0540108-A1 Catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-05-05 EP disclosed