SCHEMBL13313985

SCHEMBL13313985

CCCC1(C(O)c2ccc(Br)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.40
PTGER3 P43115 5/20 0.37
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10021107 0.85 PTGER2 (0.41) PTGER2PTGER3SLC6A2SLC6A4SLC6A3
SCHEMBL13232169 0.85 PTGER2 (0.41) PTGER2PTGER3LMNAALDH1A1HPGD
SCHEMBL3402623 0.83 PTGER2 (0.45) PTGER2PTGER3LMNA
SCHEMBL317580 0.81 PTGER2 (0.38) PTGER2PTGER3
SCHEMBL14368236 0.74 OPRL1 (0.48) PTGER2PTGER3LMNA
SCHEMBL13232170 0.74 PTGER2 (0.46) PTGER2PTGER3TP53ALDH1A1CYP3A4
SCHEMBL10021104 0.74 PTGER2 (0.46) PTGER2PTGER3SLC6A2SLC6A4SLC6A3
SCHEMBL13423049 0.74 PTGER2 (0.43) PTGER2PTGER3
SCHEMBL13695429 0.73 PTGER2 (0.36) PTGER2PTGER3LMNA
SCHEMBL318512 0.73 PTGER2 (0.41) PTGER2PTGER3

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-7732443-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. 2010-06-08 US disclosed
US-7427685-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2008-09-23 US disclosed