SCHEMBL30177009

SCHEMBL30177009

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL669017 1.00 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15849058 0.85 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18542709 0.85 TSHR (0.32) TSHR
SCHEMBL24272576 0.84 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7560736 0.80 SHBG (0.42) LMNAMAPTMEN1GAAKMT2A
SCHEMBL668583 0.80 DRD1 (0.33) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL27814761 0.80
SCHEMBL27537721 0.78 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21970457 0.77 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25872809 0.76 PDK2 (0.36) ALDH1A1NPC1RAB9AL3MBTL1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116183697-A All-solid-state chloride ion selective electrode, preparation method thereof and application thereof in blood gas analysis and detection 广州钰芯传感科技有限公司 2023-05-30 CN claimed
CN-116046864-A All-solid-state blood gas pH detection electrode, preparation method thereof and application thereof in blood gas analysis and detection 广州钰芯传感科技有限公司 2023-05-02 CN claimed
CN-115873040-A Mononuclear rhenium complex with bipyridyl xanthene as ligand and preparation method and application thereof 东莞理工学院 2023-03-31 CN claimed
CN-115621528-B Pre-lithiation method of battery cathode, pre-lithiated cathode plate and lithium ion battery 比亚迪股份有限公司 2024-10-29 CN disclosed
CN-116183697-A All-solid-state chloride ion selective electrode, preparation method thereof and application thereof in blood gas analysis and detection 广州钰芯传感科技有限公司 2023-05-30 CN disclosed
CN-116046864-A All-solid-state blood gas pH detection electrode, preparation method thereof and application thereof in blood gas analysis and detection 广州钰芯传感科技有限公司 2023-05-02 CN disclosed
CN-115873040-A Mononuclear rhenium complex with bipyridyl xanthene as ligand and preparation method and application thereof 东莞理工学院 2023-03-31 CN disclosed
CN-115621528-A Pre-lithiation method of battery negative electrode, pre-lithiation negative electrode sheet and lithium ion battery 比亚迪股份有限公司 2023-01-17 CN disclosed