SCHEMBL8927012

SCHEMBL8927012

O=C(O)C1C[CH]CCCC(C(=O)O)C[CH]C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
SLC6A11 P48066 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL3227707 0.96
Hydrochloric Acid SCHEMBL27553676 0.93 SLC6A1 (0.39) SLC6A1TSHRLMNASLC6A11SMN1; SMN2
SCHEMBL27553698 0.93 SLC6A1 (0.39) SLC6A1TSHRLMNASLC6A11SMN1; SMN2
SCHEMBL5966196 0.89 TSHR (0.39) SLC6A1TSHRLMNASLC6A11SMN1; SMN2
SCHEMBL20295616 0.84
SCHEMBL386842 0.84
SCHEMBL20295819 0.84
SCHEMBL5229468 0.82 TSHR (0.41) SLC6A1TSHRLMNASLC6A11SMN1; SMN2
SCHEMBL28848701 0.81 TSHR (0.44) SLC6A1TSHRLMNASLC6A11SMN1; SMN2
SCHEMBL5966268 0.81

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
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed