SCHEMBL14980955

SCHEMBL14980955

COCCOC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
FKBP1A P62942 2/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MDM2 Q00987 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3318260 0.93 CHRM2 (0.45) POLBFKBP1AFKBP4FKBP5ATM
SCHEMBL13397953 0.91 FKBP1A (0.40) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3314610 0.91 ATM (0.39) POLBFKBP1AFKBP4FKBP5ATM
SCHEMBL3315534 0.89 CHRM2 (0.42) POLBFKBP1AFKBP4FKBP5ATM
SCHEMBL3320618 0.89 CHRM2 (0.42) POLBFKBP1AFKBP4FKBP5ATM
SCHEMBL3318434 0.88 SMN1; SMN2 (0.47) POLBATML3MBTL1ALDH1A1NPC1
SCHEMBL3315532 0.88 FKBP1A (0.37) POLBFKBP1AFKBP4FKBP5ATM
SCHEMBL3315191 0.87 FKBP1A (0.38) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL17296893 0.85 ATM (0.53) POLBATML3MBTL1ALDH1A1NPC1
SCHEMBL3314809 0.84 ADRB2 (0.40) POLBATML3MBTL1ALDH1A1NPC1

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-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed