SCHEMBL7557602

SCHEMBL7557602

C=CCN(CC=C)C(=O)C(O)C(O)C(=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
AKT1 P31749 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C19 P33261 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL6272494 0.79 HPGD (0.42) TSHRALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL176484 0.79 TSHR (0.53) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL2446348 0.77 ALDH1A1 (0.48) POLBALDH1A1HPGDLMNAALOX12
SCHEMBL6919191 0.77 ALDH1A1 (0.48) POLBALDH1A1HPGDLMNAALOX12
SCHEMBL2446346 0.73 ALDH1A1 (0.42) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL9474105 0.73 TSHR (0.48) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL9978463 0.73 TSHR (0.48) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL8089365 0.73 HPGD (0.62) TSHRALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL11327615 0.73 ALDH1A1 (0.62) TSHRALDH1A1HPGDLMNAALOX12
SCHEMBL9571746 0.73 LMNA (0.47) POLBALDH1A1HPGDLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671975-B2 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA CHEMICALS AB (SE) 2002-07-03 EP disclosed
US-6333426-B1 CHIRAL STATIONARY PHASES BASED ON NETWORK POLYMERS OF TARTARIC ACID DERIVATIVES EXHIBIT GENERAL ENANTIOSELECTIVITY FOR MOST TYPES OF PHARMACEUTICAL SUBSTANCES EKA NOBEL AB (SE) 2001-12-25 US disclosed
US-6277782-B1 POLYMER BONDED TO CARRIER EKA NOBEL AB (SE) 2001-08-21 US disclosed
EP-0671975-B1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA CHEMICALS AB (SE) 1998-07-22 EP disclosed
EP-0671975-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS Eka Chemicals AB (SE) 1995-09-20 EP disclosed
WO-1994012275-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA NOBEL AB (SE) 1994-06-09 WO disclosed