SCHEMBL9862167

SCHEMBL9862167

COc1ccc(OC(C)C(=O)O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
LMNA P02545 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
TPMT P51580 1/20 0.55
GAA P10253 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL29587530 1.00 KMT2A (0.64) KMT2ATDP1CA12CA1CA2
SCHEMBL23605755 0.85 TDP1 (0.54) KMT2ATDP1LMNAGAACYP1A2
SCHEMBL28738503 0.82 KMT2A (0.54) KMT2ATDP1TPMTGAACYP1A2
1,2,4-Trimethoxybenzene SCHEMBL27707740 0.82 CA12 (0.64) KMT2ACA12CA1CA2CA7
SCHEMBL10949249 0.82 TDP1 (0.51) KMT2ATDP1LMNAGAACYP1A2
Lactisole SCHEMBL10667608 0.81 GAA (0.67) KMT2ATDP1CA1CA2GAA
Lactisole SCHEMBL5600662 0.81 GAA (0.67) KMT2ATDP1CA1CA2GAA
Lactisole SCHEMBL352607 0.81 GAA (0.67) KMT2ATDP1CA1CA2GAA
SCHEMBL4262556 0.80 CYP1A2 (0.77) KMT2ATDP1GAACYP1A2CYP2C9
SCHEMBL28561805 0.80 LMNA (0.53) KMT2ACA12CA1CA2CA7

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-114516792-B 2- (3, 4, 5-trimethoxy phenoxy) propionic acid and preparation method and application thereof 华南理工大学 2023-01-06 CN disclosed
CN-114516792-A 2- (3,4, 5-trimethoxy phenoxy) propionic acid and preparation method and application thereof 华南理工大学 2022-05-20 CN disclosed
CN-112876354-B 2- (4-methoxyphenoxy) propionic acid derivative with sweet taste inhibiting effect and industrial production method thereof 华南理工大学 2022-04-22 CN disclosed
CN-112876354-A 2- (4-methoxyphenoxy) propionic acid derivative with sweet taste inhibiting effect and industrial production method thereof 华南理工大学 2021-06-01 CN disclosed
US-5045336-A Reducing sweet taste of high sugar foods, organic acids and acid salts AMSTAR SUGAR CORPORATION (US) 1991-09-03 US disclosed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP disclosed
US-4656189-A INSECTICIDES CORNELL RESEARCH FOUNDATION, INC. (US) 1987-04-07 US disclosed
US-3935193-A ANTIBIOTICS TOYO JOZO KABUSHIKI KAISHA (JA) 1976-01-27 US disclosed