SCHEMBL28879796

SCHEMBL28879796

CCc1ccc(C(=O)OC)c(C(=O)OC)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 2/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL4823783 0.84 TSHR (0.32) CA12CA1CA2CA7CA9
SCHEMBL23051542 0.82 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL28631558 0.82 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL27786815 0.81 KMT2A (0.33) CA12CA1CA2CA7CA9
SCHEMBL28337063 0.80 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL26981616 0.80 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL23051618 0.80 NPC1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL11348001 0.80 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL28680548 0.79 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL8815847 0.79 TSHR (0.52) CA12CA1CA2CA7CA9

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-117777518-A Hydrolytic fertilizer type mulching film and preparation method thereof 孙琇芳 2024-03-29 CN claimed
CN-118239464-A Porous biochar and non-activated preparation method and application thereof 南京林业大学 2024-06-25 CN disclosed
CN-118140928-A Sanitary insecticidal composition containing cyantraniliprole and application thereof 江苏扬农化工股份有限公司 2024-06-07 CN disclosed
CN-117777518-A Hydrolytic fertilizer type mulching film and preparation method thereof 孙琇芳 2024-03-29 CN disclosed
CN-116514107-B Ultra-high specific surface area nitrogen hybridized carbon material and preparation method and application thereof 生态环境部南京环境科学研究所 2023-09-05 CN disclosed
CN-116514107-A Ultra-high specific surface area nitrogen hybridized carbon material and preparation method and application thereof 生态环境部南京环境科学研究所 2023-08-01 CN disclosed
CN-110637827-A Sanitary insecticidal composition containing acetamiprid and pyrethroid 江苏扬农化工股份有限公司 2020-01-03 CN disclosed
CN-110583672-A Sanitary insecticidal composition containing oxadixic ketone and pyrethroid 江苏扬农化工股份有限公司 2019-12-20 CN disclosed