SCHEMBL9723797

SCHEMBL9723797

C=CCCCCCCCCON1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TSHR P16473 1/20 0.33
SLC2A1 P11166 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10337202 0.81 LPAR3 (0.39) LPAR3LPAR2TSHRSLC2A1MAPT
SCHEMBL8972595 0.76 LMNA (0.42) TSHRALDH1A1LMNA
SCHEMBL20975489 0.73 ALDH1A1 (0.42) MAPTALDH1A1LMNA
SCHEMBL323843 0.72 ALDH1A1 (0.50) LPAR3LPAR2TSHRMAPTALDH1A1
SCHEMBL11782938 0.72 SMN1; SMN2 (0.50) TSHRALDH1A1LMNA
SCHEMBL28720836 0.72 SMN1; SMN2 (0.50) TSHRALDH1A1LMNA
SCHEMBL9433442 0.72 SMN1; SMN2 (0.50) TSHRALDH1A1LMNA
SCHEMBL4911938 0.71 LMNA (0.49) TSHRMAPTALDH1A1LMNA
SCHEMBL5254606 0.69 KEAP1 (0.52) ALDH1A1
SCHEMBL28436311 0.68 SPHK1 (0.43) LPAR3LPAR2TSHRSLC2A1ALDH1A1

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-0368933-B1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1992-10-14 EP disclosed
EP-0368933-A1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1990-05-23 EP disclosed