SCHEMBL7227828

SCHEMBL7227828

C=CCCCCCCC(CCCCCCC(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.40
USP2 O75604 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ABCC4 O15439 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7227733 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227018 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7234586 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5353262 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227146 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5354590 0.99 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5352239 0.99 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227354 0.91 CPB2 (0.37) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5354157 0.90 CPB2 (0.38) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5350121 0.90 CPB2 (0.38) CPB2USP2MAPTALDH1A1CYP3A4

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-6552068-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed