SCHEMBL23322142

SCHEMBL23322142

O=C(O)C1CC(C(=O)O)CC(C(=O)OC(=O)C2CC(C(=O)O)CC(C(=O)O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
CYP2C19 P33261 3/20 0.38
GABRR1 P24046 1/20 0.38
LMNA P02545 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 3/20 0.36
ALOX15 P16050 3/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TSHR P16473 2/20 0.35
PMP22 Q01453 2/20 0.35
APLNR P35414 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL17223885 0.86 ACE (0.48) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL2709833 0.86 ACE (0.48) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL2038877 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL19902117 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL326061 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL23366184 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL5349667 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL375124 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL6542917 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6
SCHEMBL8204743 0.82 CYP2C19 (0.50) ACECYP2C19GABRR1LMNACYP2D6

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
US-20210139390-A1 PRODUCTION METHOD OF ORGANIC COMPOUND UNITIKA LTD. (JP) 2021-05-13 US disclosed
EP-3819283-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Unitika Ltd. (JP) 2021-05-12 EP disclosed