SCHEMBL7637707

SCHEMBL7637707

CCCCCOc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ PLA2G4B P0C869 6/20 0.64
▸ THRA P10827 2/20 0.62
▸ THRB P10828 2/20 0.62
▸ RARB P10826 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PLA2G4A P47712 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10932269 0.97 ALDH1A1 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL15535898 0.88 THRA (0.63) TP53TSHRTHRATHRBALDH1A1
SCHEMBL6539277 0.86 TP53 (0.60) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL10460818 0.85 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL578734 0.83 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL15172203 0.83 TP53 (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL12190754 0.82 TP53 (0.74) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL9388919 0.82 ALDH1A1 (0.66) PLA2G4BALDH1A1HPGDSMN1; SMN2
SCHEMBL17203727 0.82 TP53 (0.74) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL13221522 0.82 TSHR (0.55) TP53TSHRPLA2G4BTHRATHRB

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-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 — — US disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 — — EP disclosed
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