SCHEMBL28489531

SCHEMBL28489531

O=C(O)C(O)(OCCOCCO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ DUT P33316 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ TK2 O00142 1/20 0.34
▸ KCNN4 O15554 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ KCNH3 Q9ULD8 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL27994258 0.90 ALDH1A1 (0.41) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL23457203 0.81 SMN1; SMN2 (0.37) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL30670482 0.81 LMNA (0.46) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL3485522 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL2821674 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL4454711 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL24207815 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL24207971 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL3190599 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A
SCHEMBL26176883 0.79 KIF11 (0.55) CYP1A2CYP2C9LMNACYP2C19KMT2A

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
CN-107556428-B Optical composite composition and optical film comprising same 优美特创新材料股份有限公司 2020-10-27 — — CN disclosed
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