SCHEMBL8014754

SCHEMBL8014754

O=C(OCC1=CCCCC1)c1ccc(C(=O)OCC2=CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL8014750 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL21306553 0.92 CES2 (0.53) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL7979749 0.90 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL674080 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL8420960 0.83 HDAC4 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDALOX12
SCHEMBL10765456 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL5267846 0.82 TAAR1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL5266129 0.80 TAAR1 (0.43) ALDH1A1SMN1; SMN2LMNAHPGDMEN1
SCHEMBL15128314 0.79 PTPN1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL10763469 0.79 TAAR1 (0.42) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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
EP-0968242-A1 DIBLOCK POLYESTER COPOLYMER AND PROCESS FOR MAKING AlliedSignal Inc. (US) 2000-01-05 EP disclosed
WO-1998041556-A1 DIBLOCK POLYESTER COPOLYMER AND PROCESS FOR MAKING ALLIEDSIGNAL INC. (US) 1998-09-24 WO disclosed