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SCHEMBL22083090

SCHEMBL22083090

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1OC(=O)C(=C)CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ CYP2C9 P11712 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22540492 0.91 TSHR (0.35) TSHRCYP2C9CA1CA2ALDH1A1
SCHEMBL22540502 0.91 CYP2C9 (0.33) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL20171711 0.89 TSHR (0.36) TSHRCYP2C9CA1CA2CNR1
SCHEMBL19796641 0.89 TSHR (0.36) TSHRCYP2C9CA1CA2CNR1
SCHEMBL20171742 0.89 TSHR (0.36) TSHRCYP2C9CA1CA2CNR1
SCHEMBL20171766 0.89 TSHR (0.36) TSHRCYP2C9CA1CA2CNR1
SCHEMBL19722518 0.88 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796518 0.87 TSHR (0.39) TSHRCYP2C9CA1CA2ALDH1A1
SCHEMBL22083082 0.86 TSHR (0.33) TSHR
SCHEMBL19796601 0.86 TSHR (0.38) TSHRCYP2C9CA1CA2ALDH1A1

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
WO-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 — — WO disclosed