SCHEMBL29065613

SCHEMBL29065613

CC(C)(C)c1cc(Cl)c(O)c(Cl)c1.[Ti]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HSD17B10 Q99714 4/20 0.48
TTR P02766 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
RECQL P46063 1/20 0.48
ACLY P53396 2/20 0.46
THRB P10828 1/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CYP2C19 P33261 4/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C9 P11712 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX12 P18054 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL6321695 0.97 GABRA1 (0.52) GABRA1GABRB2HSD17B10TTRALDH1A1
SCHEMBL23542361 0.86 ALDH1A1 (0.46) GABRA1GABRB2HSD17B10TTRALDH1A1
SCHEMBL2474087 0.86 GABRA1 (0.46) GABRA1GABRB2HSD17B10TTRALDH1A1
SCHEMBL20371164 0.84 CA2 (0.48) GABRA1GABRB2ALDH1A1TSHRCYP3A4
SCHEMBL814586 0.82 TSHR (0.54) GABRA1GABRB2HSD17B10TTRALDH1A1
SCHEMBL4457086 0.82 HSD17B10 (0.50) GABRA1GABRB2HSD17B10TTRALDH1A1
SCHEMBL19109 0.82 HSD17B10 (0.52) HSD17B10TTRALDH1A1TSHRCYP3A4
SCHEMBL69479 0.81 CYP2C19 (0.48) GABRA1GABRB2HSD17B10TSHRCYP3A4
SCHEMBL30250573 0.81 CYP2C19 (0.48) GABRA1GABRB2HSD17B10TSHRCYP3A4
SCHEMBL11702887 0.80 HSD17B10 (0.48) GABRA1GABRB2HSD17B10TTRALDH1A1

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
CN-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 CN disclosed