SCHEMBL22945696

SCHEMBL22945696

CCOC(=O)[C@]1(N)C[C@@H](OCC)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL31462441 1.00 GAA (0.35) GAAALOX15MGAMSIMGAM2
Hydrochloric Acid SCHEMBL28715389 0.98 GAA (0.34) GAAALOX15MGAMSIMGAM2
SCHEMBL24488794 0.85 MGAM (0.31) GAAMGAMSIMGAM2
SCHEMBL22945910 0.85 MGAM (0.31) GAAMGAMSIMGAM2
SCHEMBL9914600 0.85 EPHX2 (0.38) ALDH1A1CYP1A2ATMTSHR
SCHEMBL13525934 0.85 EPHX2 (0.38) ALDH1A1CYP1A2ATMTSHR
SCHEMBL10039979 0.85 EPHX2 (0.38) ALDH1A1CYP1A2ATMTSHR
Hydrochloric Acid SCHEMBL28702703 0.84 MGAM (0.30) GAAMGAMSIMGAM2
SCHEMBL22946124 0.82 ALDH1A1 (0.39) GAAALOX15MGAMSIMGAM2
SCHEMBL20605561 0.81 ALOX15 (0.38) GAAALOX15MGAMSIMGAM2

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
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed