SCHEMBL11855398

SCHEMBL11855398

CC(C/C=C/C(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ GABRR1 P24046 2/20 0.39
▸ GABRR2 P28476 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ GABRR3 A8MPY1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ GABRA4 P48169 2/20 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
SCHEMBL11855406 1.00 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6284525 0.83 BHMT (0.36) GABRR1LMNAGABRPGABRDGABRA1
SCHEMBL4201971 0.80 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL4201966 0.80 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL21986677 0.80 GRIK1 (0.41) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL10299824 0.80 CACNA2D1 (0.38) BLMTDP1ALDH1A1BHMTSLC22A6
SCHEMBL3901084 0.80 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL4201968 0.80 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL28588544 0.79 FFAR1 (0.38) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL23116185 0.78 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3

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-119242034-A Halogen-free flame-retardant heat-resistant color-changing nylon and preparation method thereof 广东伟的新材料股份有限公司 2025-01-03 — — CN disclosed
US-3983230-A HALF ESTERS WITH DICARBOXYLIC ACIDS, MEDICAMENTS SHIONOGI & CO., LTD. (JA) 1976-09-28 — — US disclosed
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