SCHEMBL9507495

SCHEMBL9507495

CCCOC(=O)C(C)CCC(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL9507791 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HCAR2MAPTTDP1
SCHEMBL9507380 0.86 NAAA (0.46) ALDH1A1HCAR2MAPTACE2TSHR
SCHEMBL27987195 0.86 ALDH1A1 (0.39) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9509864 0.85 NAAA (0.48) ALDH1A1HCAR2MAPTLMNAACE2
SCHEMBL9507698 0.85 NAAA (0.48) ALDH1A1HCAR2MAPTLMNAACE2
SCHEMBL9509884 0.85 NAAA (0.48) ALDH1A1HCAR2MAPTLMNAACE2
SCHEMBL9511078 0.85 NAAA (0.48) ALDH1A1HCAR2MAPTLMNAACE2
SCHEMBL9508048 0.85 NAAA (0.48) ALDH1A1HCAR2MAPTLMNAACE2
SCHEMBL3905507 0.85 ALDH1A1 (0.46) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9507272 0.83 ALDH1A1 (0.40) HSD17B10ALDH1A1MEN1KMT2ALMNA

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