SCHEMBL9507340

SCHEMBL9507340

CCCCCOC(C)CCC(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.55
GPR84 Q9NQS5 3/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 1/20 0.41
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL9507776 0.98 ACE2 (0.58) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9511184 0.98 ACE2 (0.58) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9508668 0.98 ACE2 (0.58) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9508028 0.98 ACE2 (0.58) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9507391 0.98 ACE2 (0.58) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9507608 0.94 ACE2 (0.52) ACE2GPR84CA1FFAR1GABRR1
SCHEMBL9703065 0.94 ACE2 (0.52) ACE2GPR84CA1FFAR1GABRR1
SCHEMBL10512732 0.94 ACE2 (0.52) ACE2GPR84CA1FFAR1GABRR1
SCHEMBL6429525 0.94 ACE2 (0.52) ACE2GPR84CA1FFAR1GABRR1
SCHEMBL9509949 0.93 ACE2 (0.51) ACE2GPR84CA1FFAR1GABRR1

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