SCHEMBL9683087

SCHEMBL9683087

COc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
KMT2A Q03164 4/20 0.61
PRSS1 P07477 2/20 0.61
ACR P10323 2/20 0.61
MAPT P10636 1/20 0.61
GFER P55789 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
ACHE P22303 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 1/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
MAOA P21397 1/20 0.54

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
SCHEMBL9681395 1.00 LMNA (0.66) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5696705 1.00 LMNA (0.66) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9905861 1.00 LMNA (0.66) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2610149 1.00 LMNA (0.66) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24805747 0.95 SMN1; SMN2 (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13038156 0.95 SMN1; SMN2 (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16604889 0.95 SMN1; SMN2 (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7591660 0.92 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9663961 0.92 PRSS1 (0.69) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9666088 0.92 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; 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-5089590-A LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5084549-A Aromatic polyesters as thermoplastic molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
EP-0354347-A2 Liquid crystal compounds,their manufacture as modifiers for polycarbonates,polyestercarbonates and polyesters BAYER AG (DE) 1990-02-14 EP disclosed