SCHEMBL9509949

SCHEMBL9509949

CCCCCOC(C)CCCC(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.51
BLM P54132 1/20 0.46
CA1 P00915 2/20 0.43
EPHX2 P34913 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
LTA4H P09960 1/20 0.39
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 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
SCHEMBL9511169 0.97 ACE2 (0.56) ACE2BLMCA1EPHX2GPR84
SCHEMBL9511189 0.95 ACE2 (0.59) ACE2CA1EPHX2GPR84FFAR1
SCHEMBL9511139 0.95 ACE2 (0.59) ACE2CA1EPHX2GPR84FFAR1
SCHEMBL9507340 0.93 ACE2 (0.55) ACE2BLMCA1EPHX2GPR84
SCHEMBL9507391 0.91 ACE2 (0.58) ACE2EPHX2GPR84FFAR1MAPT
SCHEMBL9508668 0.91 ACE2 (0.58) ACE2EPHX2GPR84FFAR1MAPT
SCHEMBL9508028 0.91 ACE2 (0.58) ACE2EPHX2GPR84FFAR1MAPT
SCHEMBL9511184 0.91 ACE2 (0.58) ACE2EPHX2GPR84FFAR1MAPT
SCHEMBL9507776 0.91 ACE2 (0.58) ACE2EPHX2GPR84FFAR1MAPT
SCHEMBL9507608 0.87 ACE2 (0.52) ACE2BLMCA1EPHX2GPR84

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