SCHEMBL5463391

SCHEMBL5463391

CC[N+](C)(CC(O)CS(=O)(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
HPGD P15428 2/20 0.32
POLB P06746 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PSIP1 O75475 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM2 P08172 1/20 0.30
BACE1 P56817 1/20 0.30
CHRM4 P08173 1/20 0.30

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
Sulfuric Acid SCHEMBL9815241 0.75 PSIP1 (0.38) APOBEC3AAPOBEC3GPSIP1ALDH1A1LMNA
SCHEMBL13133627 0.70 MAPT (0.43) APEX1LMNAMAPTCHRM1CHRM3
SCHEMBL5436496 0.70 APOBEC3A (0.50) APOBEC3AAPOBEC3GPSIP1ALDH1A1LMNA
SCHEMBL331180 0.69 APOBEC3A (0.58) POLBAPOBEC3AAPOBEC3GPSIP1KDM4E
SCHEMBL331965 0.69 PSIP1 (0.41) HPGDPOLBAPOBEC3AAPOBEC3GPSIP1
Water SCHEMBL8385260 0.68 APOBEC3A (0.48) APOBEC3AAPOBEC3GPSIP1ALDH1A1LMNA
SCHEMBL330937 0.68 PSIP1 (0.45) POLBPSIP1ALDH1A1LMNAKDM4E
SCHEMBL23542766 0.65 APEX1 (0.34) APEX1POLBAPOBEC3AAPOBEC3G
SCHEMBL242395 0.65 TSHR (0.42) HPGDALDH1A1LMNAKMT2A
SCHEMBL6858571 0.64 PSIP1 (0.40) HPGDPOLBAPOBEC3AAPOBEC3GPSIP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070154973-A1 Hygiene Monitoring CHARM SCIENCES, INC. 2007-07-05 US disclosed
US-7229783-B2 Method for monitoring hygiene CHARM SCIENCES, INC. (US) 2007-06-12 US disclosed
EP-1358459-B1 HYGIENE MONITORING CHARM SCIENCES INC (US) 2006-10-11 EP disclosed
US-20040028608-A1 Hygiene monitoring CHARM SCIENCES, INC. 2004-02-12 US disclosed