SCHEMBL7080167

SCHEMBL7080167

CC1(C(=O)C[O])CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR3 O14843 1/20 0.36
RIPK1 Q13546 1/20 0.35
CETP P11597 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.33
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CCR2 P41597 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
SCHEMBL22550126 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL12883183 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL7080172 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL21238456 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL3239419 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL14958857 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL561450 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL19383627 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FFAR3RIPK1CETP
SCHEMBL9852700 0.77 FFAR3 (0.38) ALDH1A1SMN1; SMN2FFAR3CETPCYP2C19
SCHEMBL7968390 0.77 FFAR3 (0.38) ALDH1A1SMN1; SMN2FFAR3CETPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780732-B1 Polymer composition and resist material WAKO PURE CHEM IND LTD (JP) 2003-07-09 EP disclosed
US-5976759-A ALKALI SOLUBLE BY HEATING WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0780732-A2 Polymer composition and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-06-25 EP disclosed