Sugi Predict

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SCHEMBL8989101

SCHEMBL8989101

CC(=O)OCCC(=CC(NC=O)C(=O)OCc1ccccc1)C(C(C)C)(C(C)C)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ CTSB P07858 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL8989098 0.86 HSD17B10 (0.39) CTSBTSHRHSD17B10POLB
SCHEMBL8988962 0.85 CYP2D6 (0.32) —
SCHEMBL8989020 0.82 LMNA (0.38) TSHRHSD17B10POLB
SCHEMBL8988999 0.78 — —
SCHEMBL8989096 0.77 ALDH1A1 (0.40) ALDH1A1CTSBELANEPOLB
SCHEMBL8988828 0.77 ALDH1A1 (0.46) ALDH1A1CTSBTSHRELANE
SCHEMBL9744044 0.70 ALDH1A1 (0.40) ALDH1A1CTSBELANEPOLB
SCHEMBL8989034 0.68 ALDH1A1 (0.46) ALDH1A1CTSBTSHRELANE
SCHEMBL27524121 0.67 ALDH1A1 (0.51) ALDH1A1CTSBTSHRHSD17B10
E1501 SCHEMBL8586260 0.65 ALDH1A1 (0.85) ALDH1A1TSHR

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
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 — — US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 — — US disclosed