SCHEMBL3267176

SCHEMBL3267176

C=CCCCCCC1(C(=O)CP(=O)(OC)OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPT P10636 3/20 0.33
ABCC4 O15439 1/20 0.33
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL11626602 0.77 CYP4F2 (0.41) LPAR3LPAR2CYP4F2CYP4A11
SCHEMBL11717601 0.75 CYP4F2 (0.39) LPAR3LPAR2CYP4F2CYP4A11
SCHEMBL4944673 0.74 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL24354774 0.71 ALDH1A1 (0.46) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL11623451 0.70 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL10895521 0.69 ALDH1A1 (0.44) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL27928017 0.69 ALDH1A1 (0.45) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL27946031 0.67 ALDH1A1 (0.42) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL14706209 0.65 ALDH1A1 (0.39) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL8408806 0.65 TBXAS1 (0.47) ALDH1A1LMNALPAR3LPAR2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010006129-A2 2-METHYLENE-(22E)-25-(1-METHYLENE-HEXYL)-26,27-CYCLO-22-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed