SCHEMBL8468620

SCHEMBL8468620

CCN1CCCC1Oc1ccc(C2=C(Br)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR1 P03372 11/20 0.38
MPO P05164 1/20 0.36
CYP27A1 Q02318 1/20 0.35
CYP24A1 Q07973 1/20 0.35

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
SCHEMBL3019975 0.85 EBP (0.59) EBPSIGMAR1ESR1
Hydrochloric Acid SCHEMBL8466620 0.85 EBP (0.58) EBPSIGMAR1ESR1
SCHEMBL8466831 0.83 MPO (0.46) EBPSIGMAR1MPOCYP27A1CYP24A1
SCHEMBL8468618 0.78 EBP (0.41) EBPSIGMAR1ESR1MPOCYP27A1
SCHEMBL7624883 0.73 ESR1 (0.60) EBPSIGMAR1ESR1CYP27A1CYP24A1
SCHEMBL113833 0.73 EBP (0.73) EBPSIGMAR1ESR1
SCHEMBL8147094 0.72 ATM (0.44)
SCHEMBL115122 0.72 EBP (0.47) EBPSIGMAR1ESR1MPOCYP27A1
SCHEMBL7633352 0.70 MIF (0.48) ESR1CYP27A1
SCHEMBL26957546 0.70 ESR1 (0.42) EBPSIGMAR1ESR1

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
US-5948809-A (-) cis-6(S)-phenyl-5(R) 4-(2-pyrrolidin-1-yl ethoxy) phenyl!-5,6,7,8-tetrahydronaphthalen-2-ol-D-tartrate PFIZER INC (US) 1999-09-07 US disclosed