SCHEMBL8417455

SCHEMBL8417455

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 13/20 0.68
HRH4 Q9H3N8 1/20 0.48
PTGS1 P23219 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
RARG P13631 1/20 0.43
CNR1 P21554 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL8417457 1.00 VNN1 (0.68) VNN1HRH4PTGS1KCNH2MEN1
Alcohol SCHEMBL27660651 0.98 VNN1 (0.65) VNN1HRH4PTGS1KCNH2MEN1
SCHEMBL10875319 0.93 VNN1 (0.62) VNN1PTGS1KCNH2MEN1ALDH1A1
SCHEMBL9206200 0.89 VNN1 (0.58) VNN1PTGS1KCNH2MEN1ALDH1A1
Niacin SCHEMBL810843 0.87 VNN1 (0.53) VNN1HRH4MEN1KMT2ACYP3A4
SCHEMBL22170769 0.86 VNN1 (0.62) VNN1PTGS1KCNH2
Benzoic Acid SCHEMBL30829399 0.82 VNN1 (0.58) VNN1PTGS1KCNH2CYP3A4CYP2D6
Pantothenic Acid, Racemic SCHEMBL27682059 0.82 VNN1 (0.64) VNN1PTGS1KCNH2
SCHEMBL29587001 0.81 VNN1 (1.00) VNN1PTGS1KCNH2KMT2ACYP3A4
SCHEMBL10875674 0.81 KMT2A (0.53) VNN1HRH4MEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102106489-A Vitamin premix for sea cucumber feed DALIAN SHENGXIAN AQUACULTURE CO LTD 2011-06-29 CN claimed
CN-101692871-A Vitamin premix compound for aquatic feed UNIV HENAN TECHNOLOGY 2010-04-14 CN claimed
CN-102106489-A Vitamin premix for sea cucumber feed DALIAN SHENGXIAN AQUACULTURE CO LTD 2011-06-29 CN disclosed
CN-102106489-A Vitamin premix for sea cucumber feed DALIAN SHENGXIAN AQUACULTURE CO LTD 2011-06-29 CN disclosed
CN-101519452-B Water slight-solubility vitamin B5 starch derivative and preparation method thereof UNIV HENAN TECHNOLOGY 2011-02-02 CN disclosed
CN-101692871-A Vitamin premix compound for aquatic feed UNIV HENAN TECHNOLOGY 2010-04-14 CN disclosed
CN-101519452-A Water slight-solubility vitamin B5 starch derivative and preparation method thereof UNIV HENAN TECHNOLOGY 2009-09-02 CN disclosed
EP-0612740-B1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO KK (JP) 1999-09-22 EP disclosed
US-5840977-A CYCLOHEXANOL UREA DERIVATIVE AS INTERMEDIATE FUJIREBIO INC. (JP) 1998-11-24 US disclosed
US-5719298-A REACTING PANTOTHENIC ACID ACETONIDE WITH UREA COMPOUND IN THE PRESENCE OF ACYLATING AGENT FUJIREBIO INC. (JP) 1998-02-17 US disclosed
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP disclosed