SCHEMBL31377411

SCHEMBL31377411

NC(=O)C=Cc1ccccc1/C=C\c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 2/20 0.53
▸ TRPA1 O75762 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ PLIN1 O60240 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ PLIN5 Q00G26 2/20 0.50
▸ ABHD5 Q8WTS1 2/20 0.50
▸ TNKS O95271 1/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL2328371 0.88 NFKB1 (0.50) PELI1MAPTHDAC1HDAC8HDAC6
SCHEMBL27680047 0.86 MAPT (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL28087042 0.86 MAPT (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL649508 0.86 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL3239009 0.86 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL20303734 0.86 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL20303732 0.86 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL159753 0.86 MAPT (0.67) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL7167807 0.84 PLIN1 (0.72) TRPA1MAPTHDAC3HDAC4HDAC1
SCHEMBL10919259 0.84 HCAR2 (0.72) TRPA1MAPTHDAC3HDAC4HDAC1

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-119219559-A Cis-enamide-pyrazole derivative and application thereof in anti-inflammatory drugs 广东省科学院动物研究所 2024-12-31 — — CN disclosed
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