SCHEMBL28206151

SCHEMBL28206151

CC(C)(C)c1[c]ccc(C(C)(C)C)c1.[KH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL226186 0.98 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28007764 0.95 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28050955 0.95 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL27409495 0.95 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28147188 0.95 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
Water SCHEMBL28653636 0.93 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4470598 0.86 ESR1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL26106158 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11272457 0.83 KIF11 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9296691 0.83 KIF11 (0.39) ALDH1A1MEN1KMT2ATSHRKIF11

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-105037590-B Propylene impact copolymers and method 格雷斯公司 2018-03-13 CN disclosed