SCHEMBL8771638

SCHEMBL8771638

CC1CCC(c2ccc(C(C)c3ccc(N)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.50
▸ SLC18A3 Q16572 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ ESRRG P62508 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE2A O00408 3/20 0.30
▸ SPHK1 Q9NYA1 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
SCHEMBL7752607 0.87 ESR2 (0.63) ESR2SLC18A3ESR1ALDH1A1HTT
SCHEMBL7926841 0.84 SLC18A3 (0.44) SLC18A3ESRRGALDH1A1HTTHPGD
SCHEMBL7751609 0.83 ESR2 (0.50) ESR2SLC18A3ESRRGALDH1A1HTT
SCHEMBL7927973 0.82 CYP2C9 (0.39) ESR2SLC18A3FFAR1ACACBESR1
SCHEMBL7747118 0.82 ESR2 (0.57) ESR2SLC18A3ESR1ALDH1A1HTT
SCHEMBL7747115 0.82 ESR2 (0.57) ESR2SLC18A3ESR1ALDH1A1HTT
SCHEMBL7747122 0.82 ESR2 (0.57) ESR2SLC18A3ESR1ALDH1A1HTT
SCHEMBL20091241 0.82 ESR2 (0.57) ESR2SLC18A3FFAR1ALDH1A1HTT
SCHEMBL8771462 0.80 CYP2C9 (0.54) ESR2SLC18A3FFAR1ESR1ALDH1A1
SCHEMBL8771518 0.77 CYP2C9 (0.45) ESR2ALDH1A1HTTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 — — EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 — — WO disclosed
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