SCHEMBL11705698

SCHEMBL11705698

CCCCNC(CC)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX1 P07099 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1939460 0.95 TSHR (0.35) TSHRALDH1A1HRH3EPHX1ALOX15
SCHEMBL24103917 0.91 EPHX1 (0.41) TSHRALDH1A1HRH3EPHX1ADH1B
SCHEMBL6463974 0.90 TSHR (0.38) TSHRALDH1A1HRH3EPHX1ALOX15
SCHEMBL19826302 0.85
SCHEMBL28012333 0.85 TSHR (0.41) TSHRALDH1A1EPHX1ALOX15ACHE
SCHEMBL20787609 0.84 SMN1; SMN2 (0.36) TSHRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL7857838 0.83 ALDH1A1 (0.43) TSHRALDH1A1HRH3EPHX1SMN1; SMN2
SCHEMBL1223604 0.81 EPHX1 (0.44) TSHRALDH1A1HRH3EPHX1ADH1B
SCHEMBL1222080 0.81 EPHX1 (0.44) TSHRALDH1A1HRH3EPHX1ADH1B
SCHEMBL1221879 0.81 EPHX1 (0.44) TSHRALDH1A1HRH3EPHX1ADH1B

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-4009132-A SELF-EMULSIFIABLE UNSATURATED POLYESTER INCLUDING BISPHENOL A-ALKYLENE OXIDE ADDUCT AND AMINOGLYCOL KAO SOAP CO., LTD. (JA) 1977-02-22 US claimed
US-4009132-A SELF-EMULSIFIABLE UNSATURATED POLYESTER INCLUDING BISPHENOL A-ALKYLENE OXIDE ADDUCT AND AMINOGLYCOL KAO SOAP CO., LTD. (JA) 1977-02-22 US disclosed