SCHEMBL4494377

SCHEMBL4494377

C[I+]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ LMNA P02545 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ KIF11 P52732 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ACHE P22303 4/20 0.37
▸ BCHE P06276 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL12762156 0.80 TSHR (0.52) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL70734 0.80 TSHR (0.52) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL424728 0.78 TSHR (0.73) TSHRLMNATYRKIF11ALDH1A1
Bromide SCHEMBL10810288 0.78 TSHR (0.50) TSHRLMNATYRKIF11ALDH1A1
Hydrochloric Acid SCHEMBL217655 0.78 TSHR (0.50) TSHRLMNATYRKIF11ALDH1A1
Water SCHEMBL515827 0.78 TSHR (0.50) TSHRLMNATYRKIF11ALDH1A1
Iodide SCHEMBL2968443 0.78 TSHR (0.50) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL722705 0.76 TSHR (0.48) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL2441576 0.74 TSHR (0.46) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL3417672 0.74 TSHR (0.46) TSHRLMNATYRKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521170-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-04-21 — — US claimed
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