SCHEMBL28740752

SCHEMBL28740752

O=CC1(c2ccccc2)C=CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 2/20 0.32
DPP4 P27487 1/20 0.32
HSD11B1 P28845 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
SCHEMBL27475823 0.83 KMT2A (0.32) KMT2A
SCHEMBL11321747 0.77 SLC6A2 (0.33)
SCHEMBL10931806 0.72
SCHEMBL27184907 0.71 DPP4 (0.36) AKR1C1DPP4
SCHEMBL11884391 0.68 AKR1C1 (0.38) AKR1C1MEN1CYP2C9KMT2AHDAC4
SCHEMBL30312219 0.68 AKR1C1 (0.38) AKR1C1HDAC4DPP4
SCHEMBL27491413 0.68 ALDH1A1 (0.39)
SCHEMBL27600707 0.68 ALDH1A1 (0.36) AKR1C1KMT2A
SCHEMBL4371439 0.67 DPP4 (0.33) AKR1C1DPP4
SCHEMBL11100586 0.66 DPP4 (0.31) AKR1C1KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1266121-C Metod and intermediate for preparing 4-cyanocyclo hexane carboxylic acid SMITHKLINE BEECHAM CORP (US) 2006-07-26 CN disclosed
CN-1266120-C Method and intermediate for preparing 4-cyano cyclohexane carboxylic acid SMITHKLINE BEECHAM CORP (US) 2006-07-26 CN disclosed
CN-1240673-C Process and intermediates for preparing 4-cyanocyclohexanecarboxylic acids SMITHKLINE BEECHAM CORP (US) 2006-02-08 CN disclosed
CN-1532188-A Metod and intermediate for preparing 4-cyanocyclo hexane carboxylic acid ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-29 CN disclosed
CN-1532187-A Method and intermediate for preparing 4-cyano cyclohexane carboxylic acid ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-29 CN disclosed
CN-1374941-A Process and intermediates for preparing 4-cyanocyclohexanecarboxylic acids SMITHKLINE BEECHAM CORP (US) 2002-10-16 CN disclosed