SCHEMBL27636656

SCHEMBL27636656

I[Mg]I.[CH2]c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 3/20 0.33
AGXT P21549 2/20 0.33
LMNA P02545 2/20 0.33
ALOX12 P18054 1/20 0.33
CYP2A6 P11509 2/20 0.32
IDO1 P14902 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32

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
SCHEMBL51590 0.87
SCHEMBL29058177 0.84
SCHEMBL20302438 0.82 ACHE (0.47) ACHETDP1ALDH1A1CA2CA1
SCHEMBL1718237 0.79 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
SCHEMBL22802540 0.77 ACHE (0.47) ACHETDP1ALDH1A1CA2CA1
SCHEMBL5547837 0.72 TEAD4 (0.58) ACHETDP1ALDH1A1CA2CA1
SCHEMBL3103756 0.70 TSHR (0.46) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL6903773 0.69 ACHE (0.80) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL7628214 0.69 ACHE (0.80) ACHETDP1ALDH1A1CA2CA1
SCHEMBL14855596 0.69 ALDH1A1 (0.76) TDP1ALDH1A1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430385-C Compound for improving storage stability of photoinitiator and application thereof CIBA SC HOLDING AG (CH) 2008-11-05 CN disclosed
CN-1708488-A Improvement of storage stability of photoinitiators CIBA SC HOLDING AG (CH) 2005-12-14 CN disclosed