SCHEMBL28674605

SCHEMBL28674605

CCSc1ccccc1NC(=O)CCCc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.51
▸ FFAR4 Q5NUL3 2/20 0.50
▸ CETP P11597 2/20 0.48
▸ TRPV1 Q8NER1 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL30343194 0.84 KMT2A (0.42) FFAR1FFAR4CETPHDAC3HDAC1
SCHEMBL28674555 0.81 RAB9A (0.59) CETPHDAC3HDAC4HDAC1HDAC7
SCHEMBL11248573 0.74 FFAR1 (0.86) FFAR1FFAR4HDAC3HDAC4HDAC1
SCHEMBL28346162 0.71 CETP (0.54) CETPHDAC3HDAC1RAB9ANPC1
SCHEMBL30343196 0.70 MAPT (0.48) CETPHDAC3HDAC4HDAC1HDAC7
SCHEMBL30343190 0.70 CETP (0.45) CETPHDAC3HDAC1RAB9AALDH1A1
SCHEMBL854394 0.70 HTT (0.59) FFAR1FFAR4TRPV1HDAC3HDAC1
SCHEMBL14355939 0.69 MAPT (0.44) CETPHDAC3HDAC4HDAC1HDAC7
SCHEMBL22298798 0.69 FFAR1 (0.62) FFAR1FFAR4TRPV1HDAC3HDAC4
SCHEMBL11218848 0.69 ALDH1A1 (0.63) CETPHDAC3HDAC1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861086-B Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound 温州大学 2023-04-07 — — CN disclosed
CN-113861086-A Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound 温州大学 2021-12-31 — — CN disclosed
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