SCHEMBL30463255

SCHEMBL30463255

CCCCOC(=O)c1ccc2c3cccc4cccc(c5ccc(C(=O)O)c1c52)c43

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 7/20 0.47
MAPK1 P28482 4/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 4/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ATM Q13315 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
DHODH Q02127 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL28641142 1.00 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29613398 0.95 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28848867 0.95 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28778181 0.91 TSHR (0.57) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL16516492 0.91 TSHR (0.57) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL16515955 0.87 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL27412533 0.87 TSHR (0.64) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL8878720 0.87 ALDH1A1 (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28675329 0.85 ALDH1A1 (0.59) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28778178 0.85 ALDH1A1 (0.59) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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-116199877-B Preparation method of high-temperature nylon prepolymer with stable and controllable molecular weight 万华化学集团股份有限公司 2024-11-12 CN disclosed
CN-116199877-A Preparation method of high-temperature nylon prepolymer with stable and controllable molecular weight 万华化学集团股份有限公司 2023-06-02 CN disclosed