SCHEMBL9051593

SCHEMBL9051593

CC(O)CCC(S)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNPEP Q9H4A4 3/20 0.52
▸ FOLH1 Q04609 1/20 0.52
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ GABRR1 P24046 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN5 P54829 1/20 0.35

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
SCHEMBL3796923 0.84 FOLH1 (0.68) RNPEPFOLH1ALDH1A1TDP1LMNA
SCHEMBL931181 0.84 FOLH1 (0.68) RNPEPFOLH1ALDH1A1TDP1LMNA
SCHEMBL1405522 0.82 RNPEP (0.61) RNPEPFOLH1TP53ALDH1A1TDP1
SCHEMBL11045979 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
Ammonia Solution, Strong SCHEMBL10936273 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
SCHEMBL7782840 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
SCHEMBL11132841 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
Potassium SCHEMBL11044250 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL11561884 0.81 FOLH1 (0.65) RNPEPFOLH1ALDH1A1TDP1LMNA
SCHEMBL5463058 0.78 RNPEP (0.41) RNPEPFOLH1TP53ALDH1A1TDP1

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
JP-8269003-A — — None — — JP disclosed
JP-H08269003-A THIOGLYCOLIC ACID 1,3-BUTANEDIOL ESTER AND COMPOSITION FOR PERMANENT-WAVE TREATMENT CONTAINING THE ESTER KAO CORP 1996-10-15 — — JP disclosed
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