SCHEMBL9507791

SCHEMBL9507791

CCCCOC(=O)C(C)CCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
ACE2 Q9BYF1 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CA1 P00915 3/20 0.38
NAAA Q02083 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL9507380 0.94 NAAA (0.46) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL9507698 0.93 NAAA (0.48) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL9511078 0.93 NAAA (0.48) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL9509864 0.93 NAAA (0.48) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL9509884 0.93 NAAA (0.48) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL9508048 0.93 NAAA (0.48) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL16826935 0.92 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL9507495 0.88 HSD17B10 (0.40) ALDH1A1TSHRMAPTACE2HCAR2
SCHEMBL17211387 0.86 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL1471817 0.86 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDMAPT

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed