SCHEMBL14430293

SCHEMBL14430293

CCCCOC(=O)C1=CC(=O)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 6/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37

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
Butopyronoxyl SCHEMBL121985 0.72 TSHR (0.42) TSHRL3MBTL1TDP1ESR1LMNA
Butopyronoxyl SCHEMBL8952222 0.70 TSHR (0.40) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL27848697 0.70 TSHR (0.56) TSHRL3MBTL1TDP1ESR1LMNA
Butopyronoxyl SCHEMBL2374236 0.69 TSHR (0.39) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL21950903 0.67 TSHR (0.49) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL31303954 0.66 TSHR (0.47) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL10636128 0.65 TSHR (0.55) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL593299 0.65 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2ALDH1A1POLB
SCHEMBL10618058 0.65 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2ALDH1A1POLB
SCHEMBL818196 0.64 TSHR (0.49) TSHRL3MBTL1TDP1ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423086-B1 STABILISATION OF COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING REPELLENT ACTIVE INGREDIENTS BEIERSDORF AG (DE) 2007-08-08 EP disclosed
US-20070079447-A1 Insect repellent textile BEIERSDORF AG (DE) 2007-04-12 US disclosed
US-20070079447-A1 Insect repellent textile BEIERSDORF AG (DE) 2007-04-12 US disclosed