SCHEMBL5723716

SCHEMBL5723716

Cc1ccc(C2(C(=O)O)CCCC2)cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.70
AKR1C2 P52895 6/20 0.70
AKR1C1 Q04828 4/20 0.70
AKR1B10 O60218 1/20 0.70
AKR1C4 P17516 1/20 0.70
APP P05067 7/20 0.50
CYP2C19 P33261 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 5/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
HDAC4 P56524 1/20 0.44

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
SCHEMBL16353290 0.93 AKR1C3 (0.78) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL16897638 0.86 AKR1C3 (0.65) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2794618 0.85 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2853891 0.82 AKR1C1 (0.53) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL17713205 0.82 APP (0.55) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2790932 0.81 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL17713173 0.80 LMNA (0.57) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL21874264 0.79 LMNA (0.59) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2852643 0.79 AKR1C1 (0.49) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL10110060 0.78 AKR1C1 (0.57) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4

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-1556347-A4 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2006-08-09 EP disclosed
EP-1556347-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2005-07-27 EP disclosed
WO-2003103604-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V (AN) 2003-12-18 WO disclosed