Sugi Predict

Sugi Predict / Compounds / SCHEMBL29955331

SCHEMBL29955331

SCHEMBL29955331

CC(=O)C1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 9/20 0.56
▸ S1PR1 P21453 5/20 0.56
▸ FUCA1 P04066 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ RORC P51449 1/20 0.48
▸ GRIN2B Q13224 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL12930916 0.95 S1PR5 (0.57) S1PR5S1PR1FUCA1RORCGRIN2B
SCHEMBL1188230 0.92 S1PR5 (0.65) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL6231248 0.92 S1PR5 (0.65) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL6231237 0.92 S1PR5 (0.65) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL1188233 0.92 S1PR5 (0.65) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL4513757 0.86 S1PR5 (0.51) S1PR5S1PR1FUCA1RORCGRIN2B
SCHEMBL18652827 0.86 FUCA1 (0.63) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL23297889 0.84 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL22435919 0.84 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1RORC
SCHEMBL874162 0.84 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1RORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed