SCHEMBL7902565

SCHEMBL7902565

C[C@@H](N)CCc1cn(C(=O)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ OXER1 Q8TDS5 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ IL6ST P40189 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ GRM2 Q14416 1/20 0.37

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
SCHEMBL18423465 0.86 ALDH1A1 (0.59) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL351754 0.86 ALDH1A1 (0.59) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL11895393 0.86 ALDH1A1 (0.59) ALDH1A1MAPTRECQLOXER1KMT2A
Hydrochloric Acid SCHEMBL11420881 0.84 KMT2A (0.59) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL5304010 0.81 HTR2A (0.57) ALDH1A1MAPTRECQLOXER1SLC6A2
Nitric Acid SCHEMBL18000110 0.79 MAPT (0.52) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL10442568 0.78 OXER1 (0.56) OXER1KMT2AMEN1KDM4ETP53
SCHEMBL5992534 0.78 OXER1 (0.47) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL17938322 0.78 ALDH1A1 (0.53) ALDH1A1MAPTRECQLOXER1KMT2A
SCHEMBL5814849 0.77 ALDH1A1 (0.44) ALDH1A1MAPTRECQLOXER1KMT2A

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
EP-1143925-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2001-10-17 — — EP claimed
WO-2000040217-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-07-13 — — WO claimed
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