SCHEMBL21653633

SCHEMBL21653633

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(I)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR1D P28221 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 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
SCHEMBL24522085 0.84 HTR1D (0.45) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25882732 0.84 TSHR (0.41) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25058977 0.82 RXRA (0.40) KIF11ALDH1A1MAPTPGRRORA
SCHEMBL10133739 0.80 KIF11 (0.56) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL26171235 0.80 KIF11 (0.37) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19383347 0.78 KIF11 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25058952 0.78 ALDH1A1 (0.41) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12611419 0.78 KIF11 (0.55) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27100935 0.77 KIF11 (0.40) KIF11ALDH1A1MEN1MAPTKMT2A
SCHEMBL24113754 0.75 KDM4E (0.43) KIF11ALDH1A1HPGDALOX15HSD17B10

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
EP-4328285-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2024-02-28 — — EP disclosed
EP-3227304-B1 FIVE-COORDINATE BIS-PHENYLPHENOXY CATALYSTS FOR THE PREPARATION OF ETHYLENE-BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-01-29 — — EP disclosed
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