SCHEMBL14007296

SCHEMBL14007296

C=C(C)C(=O)OCCCP(=O)(CCCOC(=O)/C=C\C(=O)O)CCCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.53
TSHR P16473 5/20 0.45
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL195022 0.89 HCAR2 (0.61) HCAR2TSHRATMTHRBPOLB
SCHEMBL9514358 0.89 HCAR2 (0.61) HCAR2TSHRATMTHRBPOLB
SCHEMBL195182 0.89 HCAR2 (0.64) HCAR2TSHRATMTHRBPOLB
SCHEMBL194313 0.86 HCAR2 (0.58) HCAR2TSHRATMTHRBPOLB
SCHEMBL1886812 0.86 HCAR2 (0.58) HCAR2TSHRATMTHRBPOLB
SCHEMBL698817 0.86 HCAR2 (0.58) HCAR2TSHRATMTHRBPOLB
SCHEMBL5082364 0.86 HCAR2 (0.58) HCAR2TSHRATMTHRBPOLB
SCHEMBL29132466 0.85 HCAR2 (0.56) HCAR2TSHRATMTHRBPOLB
SCHEMBL14007297 0.84 HCAR2 (0.59) HCAR2TSHRATMTDP1ALDH1A1
SCHEMBL28190015 0.84 HCAR2 (0.56) HCAR2TSHRATMTHRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080272347-A1 Organic Ligands for Semiconductor Nanocrystals IDEMITSU KOSAN CO., LTD. (JP) 2008-11-06 US disclosed
US-20080272347-A1 Organic Ligands for Semiconductor Nanocrystals IDEMITSU KOSAN CO., LTD. (JP) 2008-11-06 US disclosed