SCHEMBL23867037

SCHEMBL23867037

CC(I)C(=O)Oc1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 1/20 0.43
▸ FABP3 P05413 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ HMGB1 P09429 1/20 0.34
▸ GGT1 P19440 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL27996039 0.87 ELANE (0.46) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL7326080 0.84 FABP7 (0.42) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL27620015 0.81 FABP7 (0.45) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL25519396 0.81 KMT2A (0.43) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL26784491 0.80 TSHR (0.45) ALDH1A1ACHEHPGDKDM4EHSD17B10
SCHEMBL25470000 0.80 FABP7 (0.39) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL28540876 0.79 FABP7 (0.44) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL22374224 0.79 KDM4E (0.62) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL25522016 0.77 FABP7 (0.38) FABP7FABP3FABP5ALDH1A1ACHE
SCHEMBL26667020 0.77 KDM4E (0.59) FABP7FABP3FABP5ALDH1A1ACHE

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-20210302838-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-30 — — US disclosed
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