SCHEMBL9840397

SCHEMBL9840397

CC1OCC(COc2ccc(Cl)cc2Cl)O1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
S1PR4 O95977 4/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
DRD4 P21917 6/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL29847389 0.87 ALDH1A1 (0.49) S1PR4ALDH1A1GLATSHRHPGD
SCHEMBL2338368 0.87 ALDH1A1 (0.49) S1PR4ALDH1A1GLATSHRHPGD
SCHEMBL7962011 0.87 ALDH1A1 (0.49) S1PR4ALDH1A1GLATSHRHPGD
SCHEMBL7962015 0.87 ALDH1A1 (0.49) S1PR4ALDH1A1GLATSHRHPGD
SCHEMBL9839173 0.80 TSHR (0.50) ALDH1A1TSHRGAAHPGDSMN1; SMN2
SCHEMBL30161198 0.77 TTR (0.45) ALDH1A1GLATSHRHPGDSMN1; SMN2
SCHEMBL2230996 0.77 TTR (0.45) ALDH1A1GLATSHRHPGDSMN1; SMN2
SCHEMBL9839070 0.76 ALDH1A1 (0.47) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL2337120 0.74 ALDH1A1 (0.49) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL4674469 0.74 DRD4 (0.60) S1PR4ALDH1A1GLATSHRSMN1; SMN2

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-1991002515-A1 ANTI-INFLAMMATORY SUBSTANCES FOR COSMETIC PREPARATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-07 WO disclosed