SCHEMBL3989202

SCHEMBL3989202

CCC(N)C1(C(=O)O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL3664521 0.96 SLC6A4 (0.36) FFAR3TSHRCYP2C19SLC6A4SLC6A3
SCHEMBL5667980 0.94 SLC6A4 (0.39) FFAR3TSHRCYP2C19SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5665595 0.92 SLC6A4 (0.38) FFAR3TSHRCYP2C19SLC6A4SLC6A3
SCHEMBL1161505 0.91 FFAR3 (0.39) FFAR3SLC6A4SLC6A3SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL1285236 0.78
SCHEMBL9935954 0.77 CYP2C19 (0.34) FFAR3TSHRNFKB1CYP2C19
SCHEMBL16730624 0.75 FFAR3 (0.31) FFAR3
SCHEMBL14037320 0.72 CYP2C19 (0.34) FFAR3TSHRNFKB1CYP2C19
SCHEMBL9972636 0.72 CYP2C19 (0.39) FFAR3TSHRCYP2C19
SCHEMBL9510216 0.71 SLC1A1 (0.32) SLC1A1

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
WO-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed