SCHEMBL692439

SCHEMBL692439

CCCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.43
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL693461 1.00 SOAT1 (0.43) SOAT1MAPTLMNAJAK2GAA
Phenol SCHEMBL27809699 0.97 SOAT1 (0.41) SOAT1MAPTLMNAJAK2GAA
SCHEMBL692632 0.92 SOAT1 (0.42) SOAT1MAPTLMNAMEN1KMT2A
SCHEMBL17948237 0.92 SOAT1 (0.42) SOAT1MAPTLMNAMEN1KMT2A
1-Hydroxy-2-Ethoxybenzene SCHEMBL5563440 0.87 TP53 (0.41) MAPTLMNAJAK2GAAMEN1
Phenol SCHEMBL28102520 0.86 L3MBTL1 (0.40) SOAT1MAPTLMNAMEN1KMT2A
Phenol SCHEMBL28119823 0.86 NR5A1 (0.46) SOAT1LMNANR1I2CHRM2CYP3A4
SCHEMBL1984480 0.86 SOAT1 (0.41) SOAT1
SCHEMBL118832 0.86 SOAT1 (0.41) SOAT1
Guaiacol SCHEMBL29291130 0.85 SOAT1 (0.37) SOAT1CNR1CNR2

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-2421614-A1 COSMETIC OR DERMATOLOGICAL PREPARATION Dr. Straetmans GmbH (DE) 2012-02-29 EP claimed
WO-2010121759-A1 COSMETIC OR DERMATOLOGICAL PREPARATION DR. STRAETMANS GMBH (DE) 2010-10-28 WO claimed
EP-2421614-A1 COSMETIC OR DERMATOLOGICAL PREPARATION Dr. Straetmans GmbH (DE) 2012-02-29 EP disclosed
WO-2010121759-A1 COSMETIC OR DERMATOLOGICAL PREPARATION DR. STRAETMANS GMBH (DE) 2010-10-28 WO disclosed