SCHEMBL9480987

SCHEMBL9480987

C=C(C)C(=O)OCCCCOc1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ TSHR P16473 3/20 0.49
▸ S1PR3 Q99500 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL9480980 1.00 POLB (0.51) POLBAPEX1HTTTDP1RAB9A
SCHEMBL19294804 0.99 POLB (0.53) POLBAPEX1HTTTDP1RAB9A
SCHEMBL13882618 0.99 POLB (0.53) POLBAPEX1HTTTDP1RAB9A
SCHEMBL12768403 0.94 POLB (0.48) POLBAPEX1HTTTDP1RAB9A
SCHEMBL9470894 0.93 POLB (0.53) POLBAPEX1HTTTDP1RAB9A
SCHEMBL9470887 0.93 POLB (0.53) POLBAPEX1HTTTDP1RAB9A
SCHEMBL9482209 0.92 HTT (0.55) POLBAPEX1HTTTDP1RAB9A
SCHEMBL9482215 0.92 HTT (0.55) POLBAPEX1HTTTDP1RAB9A
SCHEMBL223371 0.92 POLB (0.51) POLBAPEX1HTTTDP1RAB9A
SCHEMBL12768420 0.92 POLB (0.46) POLBAPEX1HTTTDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242616-A Liquid crystal pollymers for displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 — — US claimed
US-9080100-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2015-07-14 — — US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 — — US disclosed
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