SCHEMBL8468618

SCHEMBL8468618

CCC1CCCN1Oc1ccc(C2=C(Br)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR1 P03372 7/20 0.38
MPO P05164 1/20 0.36
CYP27A1 Q02318 3/20 0.35
CYP24A1 Q07973 3/20 0.35
CYP26A1 O43174 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALKBH3 Q96Q83 1/20 0.33

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
Hydrochloric Acid SCHEMBL8466618 0.85 SIGMAR1 (0.58) EBPSIGMAR1ESR1CYP27A1CYP24A1
SCHEMBL8466830 0.83 MPO (0.46) EBPSIGMAR1MPOCYP27A1CYP24A1
SCHEMBL8468620 0.78 EBP (0.41) EBPSIGMAR1ESR1MPOCYP27A1
SCHEMBL7624883 0.73 ESR1 (0.60) EBPSIGMAR1ESR1CYP27A1CYP24A1
SCHEMBL113833 0.73 EBP (0.73) EBPSIGMAR1ESR1
SCHEMBL115122 0.72 EBP (0.47) EBPSIGMAR1ESR1MPOCYP27A1
SCHEMBL26957546 0.72 ESR1 (0.42) EBPSIGMAR1ESR1ALDH1A1ALKBH3
SCHEMBL7633352 0.70 MIF (0.48) ESR1CYP27A1CYP26A1ALDH1A1ALKBH3
SCHEMBL23297257 0.69 EBP (0.51) EBPSIGMAR1ESR1CYP27A1CYP26A1
SCHEMBL27320516 0.69 TLR9 (0.42) EBPSIGMAR1ESR1CYP27A1CYP26A1

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