SCHEMBL7628612

SCHEMBL7628612

CCCCCC[C](C)OOC(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ TSHR P16473 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CYP3A4 P08684 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PRSS1 P07477 1/20 0.41

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
SCHEMBL7625156 0.89 ALDH1A1 (0.42) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL7632406 0.84 ALDH1A1 (0.49) ALDH1A1TSHRLMNAP2RX7KMT2A
SCHEMBL7637605 0.83 L3MBTL1 (0.42) TDP1L3MBTL1KMT2AMEN1HTT
SCHEMBL7631286 0.83 GAA (0.42) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL7627885 0.83 HDAC8 (0.48) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL7627740 0.82 LMNA (0.50) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL7635137 0.82 SOAT1 (0.50) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL7631559 0.82 TSHR (0.47) ALDH1A1TSHRLMNAL3MBTL1POLB
SCHEMBL7625349 0.81 CES2 (0.55) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL20503336 0.79 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 — — EP disclosed
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