SCHEMBL7633352

SCHEMBL7633352

COc1ccc2c(c1)CCC(Br)=C2c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.48
CYP26A1 O43174 2/20 0.48
CYP27A1 Q02318 1/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP19A1 P11511 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP2A6 P11509 1/20 0.45
MAPK1 P28482 1/20 0.44
ALKBH3 Q96Q83 1/20 0.43
ESR1 P03372 2/20 0.43
CYP11B2 P19099 2/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL7624883 0.83 ESR1 (0.60) MIFCYP26A1CYP27A1ABCB1MAPT
SCHEMBL7628081 0.81 ESR1 (0.63) MIFCYP26A1CYP27A1ABCB1ALDH1A1
SCHEMBL20231362 0.80 MAOB (0.50) ALDH1A1SMN1; SMN2ESR1
SCHEMBL115122 0.80 EBP (0.47) MIFCYP26A1CYP27A1ALDH1A1CYP19A1
SCHEMBL10470879 0.79 MIF (0.48) MIFCYP26A1CYP27A1ABCB1ALDH1A1
SCHEMBL7633335 0.78 MPO (0.51) MIFCYP26A1ABCB1ALDH1A1CYP19A1
SCHEMBL23297257 0.76 EBP (0.51) MIFCYP26A1CYP27A1MAPTMAPK1
SCHEMBL113833 0.73 EBP (0.73) ESR1ESR2
SCHEMBL27320516 0.73 TLR9 (0.42) CYP26A1CYP27A1ALDH1A1MAPTALKBH3
SCHEMBL14033508 0.72 MIF (0.81) MIFCYP26A1CYP27A1ABCB1ALDH1A1

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-0955286-B1 Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity AVENTIS PHARMA SA (FR) 2002-08-07 EP disclosed
US-6005003-A OSTEOPOROSIS TREATMENT HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
EP-0955286-A1 Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity HOECHST MARION ROUSSEL (FR) 1999-11-10 EP disclosed