SCHEMBL13845278

SCHEMBL13845278

CCOC(C)Oc1ccc(C2CCC(c3ccc(OC(C)C#CO)cc3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL13845274 0.77 CYP2C9 (0.48) IDO1DRD2TSHRRAB9ASLC6A2
SCHEMBL13845280 0.74 CYP2C9 (0.39) DRD2RAB9A
SCHEMBL15869192 0.74 DRD2 (0.33) IDO1DRD2TSHRFFAR1POLB
SCHEMBL13845279 0.73 ESR1 (0.38) POLB
SCHEMBL3852488 0.72 LMNA (0.52) TSHRPOLB
SCHEMBL2718913 0.69 TSHR (0.38) IDO1DRD2TSHRPOLBSLC6A2
SCHEMBL2719078 0.68 TSHR (0.34) IDO1DRD2TSHRRAB9APOLB
SCHEMBL5963165 0.67 LTA4H (0.47) SLC6A2SLC6A3
SCHEMBL4059616 0.67 LMNA (0.46) —
SCHEMBL2719429 0.67 SMN1; SMN2 (0.34) IDO1DRD2TSHRPOLBSLC6A2

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 — — US disclosed
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