SCHEMBL29754229

SCHEMBL29754229

COC(=O)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.64
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
SMYD3 Q9H7B4 2/20 0.54
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HTT P42858 2/20 0.53
CA9 Q16790 1/20 0.51
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46

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
SCHEMBL2497788 1.00 CRBN (0.64) CRBNALDH1A1LMNASMYD3ALOX15
SCHEMBL17276396 0.91 LMNA (0.56) CRBNALDH1A1LMNASMYD3ALOX15
SCHEMBL6646602 0.88 CRBN (0.76) CRBNALDH1A1LMNASMYD3ALOX15
SCHEMBL1359221 0.86 CRBN (0.59) CRBNALDH1A1LMNASMYD3HTT
SCHEMBL29374811 0.86 CRBN (0.59) CRBNALDH1A1LMNASMYD3HTT
SCHEMBL3066386 0.84 SMYD3 (0.48) CRBNALDH1A1SMYD3ALOX15HSD17B10
SCHEMBL2218590 0.83 CA9 (0.56) CRBNSMYD3ALOX15CA9NPC1
SCHEMBL17957924 0.82 ALDH1A1 (0.56) CRBNALDH1A1LMNAALOX15HSD17B10
Acetic Acid SCHEMBL30195764 0.82 CRBN (0.56) CRBNALDH1A1LMNASMYD3HTT
Phosphoric Acid SCHEMBL30195978 0.81 CRBN (0.58) CRBNALDH1A1LMNASMYD3HTT

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-114436955-B Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2024-08-09 CN disclosed
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 CN disclosed