SCHEMBL30110322

SCHEMBL30110322

CCCCC(CC)CN(C)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 2/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 4/20 0.38
PTPRA P18433 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL5691932 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL12520337 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL10626033 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL10708630 0.78 KDM4E (0.49) ALDH1A1LMNAKDM4EMEN1RECQL
Phthalic Acid SCHEMBL31186323 0.77 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAKDM4E
Phthalic Acid SCHEMBL8971732 0.77 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL1673239 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL7635322 0.76 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11722797 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAKDM4E
Benzoic Acid SCHEMBL28496227 0.76 MAPK1 (0.48) ALDH1A1CYP3A4CA2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013028-A Compositions and methods for ameliorating sexual dysfunction 温桑托尔公司 2024-11-22 CN disclosed
CN-118634173-A Shear thinning cosmetic composition ELC 管理有限责任公司 2024-09-13 CN disclosed
CN-118119390-A Compositions and methods for prolonged release of clocaline therapy 奎拉里斯生物公司 2024-05-31 CN disclosed
CN-115697281-B Shear thinning cosmetic composition ELC管理有限责任公司 2024-04-05 CN disclosed
CN-115768419-A Improved methods and compositions for the treatment of prodrugs of chromanccalin 奎拉里斯生物公司 2023-03-07 CN disclosed
CN-115443132-A Controlled delivery of chromancarlin prodrugs 奎拉里斯生物公司 2022-12-06 CN disclosed