SCHEMBL28499342

SCHEMBL28499342

C=CCCCC/C=C/C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
ALDH1A1 P00352 3/20 0.65
HCAR2 Q8TDS4 1/20 0.48
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 2/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCC4 O15439 1/20 0.39
ATM Q13315 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL27263522 1.00 MAPT (0.68) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL27707701 0.98 MAPT (0.66) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL27707702 0.98 MAPT (0.66) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL27671963 0.98 MAPT (0.66) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL27466468 0.96 MAPT (0.73) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL14655111 0.90 MAPT (0.59) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL28208914 0.90 MAPT (0.59) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL22100454 0.88 MAPT (0.85) MAPTALDH1A1HCAR2LMNACYP3A4
SCHEMBL872985 0.86 MAPT (0.70) MAPTALDH1A1HCAR2LMNAUSP2
SCHEMBL872986 0.86 MAPT (0.70) MAPTALDH1A1HCAR2LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352586-B2 Dienoates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-06-07 US disclosed
CN-112088207-A Novel dienoic acid esters and their use in perfume compositions 国际香料和香精公司 2020-12-15 CN disclosed