SCHEMBL8779970

SCHEMBL8779970

O=C1C2CCC(C2)C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
CTRB1 P17538 1/20 0.39
HSD11B1 P28845 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
FASN P49327 1/20 0.38
PLG P00747 2/20 0.38
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL26934662 1.00 F2 (0.42) F2PRSS1CTRB1HSD11B1DDB1
SCHEMBL7488949 0.78 ALDH1A1 (0.46)
SCHEMBL6710847 0.77 LMNA (0.42) DDB1CRBNLMNASMN1; SMN2CYP3A4
SCHEMBL11773282 0.70 ALDH1A1 (0.36)
SCHEMBL14721191 0.70 ALDH1A1 (0.36)
SCHEMBL24587183 0.70 ALDH1A1 (0.36)
SCHEMBL8779995 0.70 ALDH1A1 (0.36)
SCHEMBL8779972 0.69 AKR1C3 (0.42) LMNASMN1; SMN2
SCHEMBL17997343 0.69 AKR1C3 (0.42) LMNASMN1; SMN2
SCHEMBL8740473 0.69 HSD11B1 (0.35) HSD11B1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528694-B1 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORP (JP) 1997-04-09 EP disclosed
US-5266728-A Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-11-30 US disclosed
EP-0528694-A2 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-02-24 EP disclosed