Butylparaben

Butylparaben

SCHEMBL5189352

CC(O)Oc1ccccc1.CCCCOC(=O)c1ccc(O)cc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.68
ESR1 P03372 4/20 0.68
LMNA P02545 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
MAPK1 P28482 2/20 0.68
CYP2D6 P10635 1/20 0.68
NR1H2 P55055 1/20 0.68
RNASEL Q05823 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 2/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
KDR P35968 1/20 0.55
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
ESR2 Q92731 2/20 0.50
STS P08842 6/20 0.49

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
Propylparaben SCHEMBL830283 0.92 ALDH1A1 (0.66) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL1131653 0.90 ESR1 (0.55) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL28236585 0.90 TSHR (0.55) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL27700689 0.89 TSHR (0.54) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL3832690 0.86 TSHR (0.50) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL27799739 0.85 ESR1 (0.87) TSHRESR1LMNACYP1A2CYP2C19
Butylparaben SCHEMBL28872721 0.85 ESR1 (0.93) TSHRESR1LMNACYP1A2CYP2C19
Propylparaben SCHEMBL8509467 0.85 ESR1 (0.56) TSHRESR1LMNACYP1A2CYP2C19
Nonyl 4-Hydroxybenzoate SCHEMBL28216412 0.84 TSHR (0.59) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL28842646 0.83 ADRB2 (0.52) TSHRESR1LMNATDP1ALDH1A1

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
EP-1809309-A1 TOPICAL COMPOSITIONS COMPRISING MYRICA GALE OIL The Boots Company PLC (GB) 2007-07-25 EP disclosed
WO-2006051246-A1 TOPICAL COMPOSITIONS COMPRISING MYRICA GALE OIL THE BOOTS COMPANY PLC (GB) 2006-05-18 WO disclosed
WO-2000074636-A1 METHODS FOR TREATING SKIN WITH 3-HYDROXY BENZOIC ACID AND RELATED COMPOSITIONS REVLON CONSUMER PRODUCTS CORPORATION (US) 2000-12-14 WO disclosed
WO-1996033773-A2 IMPROVEMENTS IN OR RELATING TO COSMETIC TREATMENT OF SKIN LINES OLAVESEN LIMITED (GB) 1996-10-31 WO disclosed