SCHEMBL28369307

SCHEMBL28369307

CCC(C(=O)O)C(=O)OC1CCCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
SCN9A Q15858 2/20 0.31
EPHX1 P07099 1/20 0.31
APLNR P35414 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL28369306 0.94 EPHX1 (0.33) NR1I2ABCB11LMNACYP3A4CYP1A2
SCHEMBL3924112 0.89 MEN1 (0.32) CYP2D6SCN9A
SCHEMBL28408365 0.79 EPHX1 (0.49) CYP3A4CYP1A2CYP2D6EPHX1
SCHEMBL13195791 0.77 SCN9A (0.36) NR1I2ABCB11LMNACYP1A2SCN9A
SCHEMBL26276902 0.77 CYP19A1 (0.33) NR1I2ABCB11LMNASCN9A
SCHEMBL6337110 0.77 ALDH1A1 (0.38) SCN9AEPHX1
SCHEMBL27468900 0.77 CHRM2 (0.34) NR1I2ABCB11LMNA
SCHEMBL19830971 0.76 NAAA (0.40) LMNASCN9AEPHX1
SCHEMBL2452485 0.76 NAAA (0.40) LMNASCN9AEPHX1
SCHEMBL14863751 0.76 MEN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112840011-B Consumer product and delivery system using organoleptic compounds 宝洁公司 2022-05-31 CN disclosed
CN-112840011-A Consumer product and delivery system using organoleptic compounds 宝洁公司 2021-05-25 CN disclosed
CN-107072900-B High coverage, low odor malodor counteracting compounds and methods of use 国际香料和香精公司 2020-03-20 CN disclosed