SCHEMBL10997522

SCHEMBL10997522

CCCCC(CC)CN(c1cccc(C)c1)C(C)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GPX4 P36969 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PER2 O15055 1/20 0.34
▸ CRY1 Q16526 1/20 0.34
▸ CRY2 Q49AN0 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL10657507 0.84 MAPT (0.43) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL10997528 0.81 ALDH1A1 (0.40) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL9314947 0.80 TP53 (0.49) ALDH1A1TP53NPC1MAPTLMNA
SCHEMBL8388252 0.79 TP53 (0.48) ALDH1A1TP53NPC1MAPTLMNA
SCHEMBL15131654 0.77 ALDH1A1 (0.40) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL14785503 0.76 ALDH1A1 (0.41) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL11357273 0.75 ALDH1A1 (0.39) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL10657503 0.74 RECQL (0.39) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL9114792 0.74 ALDH1A1 (0.40) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL10663663 0.73 RAB9A (0.50) ALDH1A1TP53NPC1RAB9APAX8

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-0052578-B1 MONOAZO COMPOUNDS CIBA-GEIGY AG (CH) 1985-10-09 — — EP disclosed
US-4447358-A FOR POLYAMIDE AND WOOL TEXTILE DYEING CIBA-GEIGY CORPORATION (US) 1984-05-08 — — US disclosed
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