SCHEMBL7712798

SCHEMBL7712798

CCCC(CCc1ccccc1)CC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.51
▸ F10 P00742 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18065683 0.95 F2 (0.54) F2F10SMN1; SMN2MAPTALDH1A1
SCHEMBL11862581 0.89 F10 (0.47) F2F10SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL27733129 0.86 F10 (0.50) F2F10SMN1; SMN2MAPTALDH1A1
SCHEMBL9075590 0.84 KMT2A (0.46) SMN1; SMN2ALDH1A1TSHRPOLBPRSS1
SCHEMBL4076046 0.83 MMP12 (0.49) SMN1; SMN2TSHRPOLB
SCHEMBL1268395 0.82 F10 (0.47) F2F10SMN1; SMN2MAPTALDH1A1
SCHEMBL6526152 0.82 SMN1; SMN2 (0.56) F2F10SMN1; SMN2ALDH1A1TSHR
SCHEMBL8903673 0.81 F2 (0.55) F2F10SMN1; SMN2ALDH1A1TSHR
SCHEMBL5552886 0.81 F2 (0.52) F2F10SMN1; SMN2ALDH1A1TSHR
SCHEMBL2311407 0.81 F2 (0.55) F2F10SMN1; SMN2ALDH1A1TSHR

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 — — US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 — — EP disclosed
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