SCHEMBL28751694

SCHEMBL28751694

CC1CCCC(C)N1C(CCCCCCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.37
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER2 P43116 1/20 0.36
TSHR P16473 5/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
GPR84 Q9NQS5 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35

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
SCHEMBL28751696 0.98 HRH3 (0.39) FFAR4FFAR1ALDH1A1HRH3GSTK1
SCHEMBL31457113 0.84 HRH3 (0.36) FFAR4FFAR1ALDH1A1HRH3GSTK1
SCHEMBL27778767 0.72 TSHR (0.43) FFAR4FFAR1ALDH1A1HRH3TSHR
SCHEMBL4598928 0.71 CYP1A2 (0.46) FFAR4FFAR1ALDH1A1GSTK1TSHR
SCHEMBL18939490 0.70 HRH3 (0.43) HRH3TSHRLMNANFKB1PMP22
SCHEMBL27894808 0.70 HRH3 (0.59) HRH3TSHRLMNANFKB1PMP22
SCHEMBL27894809 0.70 HRH3 (0.59) HRH3TSHRLMNANFKB1PMP22
SCHEMBL27894811 0.70 HRH3 (0.59) HRH3TSHRLMNANFKB1PMP22
SCHEMBL716438 0.70 TSHR (0.39) FFAR4FFAR1ALDH1A1GSTK1TSHR
SCHEMBL774592 0.69 LMNA (0.43) FFAR4FFAR1ALDH1A1GSTK1TSHR

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
CN-114560846-B Multifunctional chemical cross-linking agent and preparation method and application thereof 中国科学院大连化学物理研究所 2023-07-18 CN disclosed
CN-114560846-A Multifunctional chemical cross-linking agent and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-31 CN disclosed