SCHEMBL9420120

SCHEMBL9420120

CC1=CC(C)(C)Nc2ccccc21.[Ti]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.96
▸ HSD17B10 Q99714 5/20 0.96
▸ TDP1 Q9NUW8 3/20 0.96
▸ CYP3A4 P08684 3/20 0.96
▸ KDM4E B2RXH2 7/20 0.92
▸ HPGD P15428 6/20 0.92
▸ MEN1 O00255 4/20 0.92
▸ KMT2A Q03164 4/20 0.92
▸ L3MBTL1 Q9Y468 2/20 0.92
▸ PGR P06401 11/20 0.60
▸ MAPT P10636 4/20 0.59
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49

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
SCHEMBL29351296 0.98 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL940450 0.98 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL44875 0.98 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL28154022 0.96 ALDH1A1 (0.96) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL11446966 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
Methyl Alcohol SCHEMBL28257914 0.94 ALDH1A1 (0.92) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL28312198 0.89 ALDH1A1 (0.83) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL11720246 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
Phenothiazine SCHEMBL10786899 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL8849589 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10TDP1CYP3A4KDM4E

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-0560798-A4 — — 1994-04-06 — — EP disclosed
EP-0560798-A1 HIGH PERFORMANCE ONE-PIECE GOLF BALL DUNLOP SLAZENGER CORPORATION (US) 1993-09-22 — — EP disclosed
WO-1992007631-A1 HIGH PERFORMANCE ONE-PIECE GOLF BALL DUNLOP SLAZENGER CORPORATION (US) 1992-05-14 — — WO disclosed
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