SCHEMBL7940066

SCHEMBL7940066

O=C(O)CCCCCCCNc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TBXA2R P21731 1/20 0.50
HPGD P15428 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
MAPK1 P28482 1/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL3207752 0.86 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCDC25ACDC25B
SCHEMBL5518973 0.82 ALDH1A1 (0.76) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL28225592 0.82 MAPT (0.56) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL5514066 0.82 ALDH1A1 (0.76) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL11061872 0.82 HDAC1 (0.63) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL863993 0.82 HDAC1 (0.63) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL13593592 0.81 CDC25A (0.48) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL7719067 0.80 HDAC3 (0.61) ALDH1A1HSD17B10HPGDHDAC3HDAC1
SCHEMBL5510920 0.80 ALDH1A1 (0.78) ALDH1A1HSD17B10TBXA2RHPGDCDC25A
SCHEMBL7717055 0.80 HDAC3 (0.61) ALDH1A1HSD17B10HPGDHDAC3HDAC1

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
CN-117402073-A Preparation method of 8- (2-hydroxybenzoyl) caprylic acid 扬州市普林斯医药科技有限公司 2024-01-16 CN claimed
US-6245753-B1 Amphiphilic polysaccharide derivatives MEDIPLEX CORPORATION, KOREA (KR) 2001-06-12 US disclosed
WO-1999061481-A1 AMPHIPHILIC POLYSACCHARIDE DERIVATIVES MEDIPLEX CORPORATION, KOREA (KR) 1999-12-02 WO disclosed