SCHEMBL30798973

SCHEMBL30798973

CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CDC25B P30305 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NR3C1 P04150 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ FADS1 O60427 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL9429869 1.00 CCR4 (0.47) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL30172544 1.00 CCR4 (0.47) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL21523260 0.87 SHBG (0.36) ALDH1A1TSHRHPGDCYP3A4GAA
SCHEMBL871745 0.82 CDC25B (0.42) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL1605213 0.81 KDM4E (0.42) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL38589 0.79 CDC25B (0.56) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL29387958 0.79 CDC25B (0.56) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL8962178 0.77 MAPT (0.42) ALDH1A1TSHRHSD17B10HPGDCDC25B
SCHEMBL8373131 0.77 ALDH1A1 (0.61) CCR4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL49213 0.75 HSD17B10 (0.74) CCR4ALDH1A1TSHRHSD17B10HPGD

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
WO-2024018152-A1 FUEL ADDITIVE FOR REDUCING LOW-SPEED PRE-IGITION IN GASOLINE DIRECT-INJECTION ENGINES STELLANTIS AUTO SAS (FR) 2024-01-25 — — WO disclosed
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