SCHEMBL9234551

SCHEMBL9234551

CCCCCCOC(C)C(=O)Oc1ccc(-c2ncc(OCCCCC)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.51
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PLA2G4B P0C869 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL9236093 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9234210 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9238367 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9232677 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9237870 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9237173 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9238858 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9240985 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9240520 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2
SCHEMBL9234778 1.00 RARB (0.51) RARBTP53TSHRNPC1SMN1; SMN2

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-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 — — US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 — — US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
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