SCHEMBL17317100

SCHEMBL17317100

CC(CCCN(C)C(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ MBTD1 Q05BQ5 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MLYCD O95822 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL31298035 0.82 CDK4 (0.49) CDK4CCND1NPC1HDAC6MLYCD
SCHEMBL1784136 0.80 TSHR (0.57) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL30829602 0.79 ALDH1A1 (0.51) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL19872832 0.79 ALDH1A1 (0.51) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL2578004 0.79 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL16366695 0.79 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL6546118 0.78 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL13866351 0.78 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL13866325 0.78 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2D6POLB
SCHEMBL8641718 0.77 HDAC6 (0.59) CDK4CCND1HDAC6MLYCD

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
EP-3310822-B1 PROCATALYST FOR POLYMERIZATION OF OLEFINS COMPRISING AN AMINOBENZOATE INTERNAL DONOR AND A 1,3-DIETHER INTERNAL DONOR IN A SPECIFIC RATIO SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-10-11 — — EP claimed
EP-3149054-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS COMPRISING A MONOESTER AND AN AMIDOBENZOATE INTERNAL DONOR SABIC Global Technologies B.V. (NL) 2017-04-05 — — EP claimed
WO-2015185490-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS COMPRISING A MONOESTER AND AN AMIDOBENZOATE INTERNAL DONOR SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-12-10 — — WO claimed
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