SCHEMBL8524074

SCHEMBL8524074

CCCCCN(CCCCC)[C@H](C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 8/20 0.42
FFAR1 O14842 2/20 0.42
PPARD Q03181 7/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
AKR1B1 P15121 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 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
SCHEMBL10973416 1.00 ACE2 (0.42) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL8523775 1.00 ACE2 (0.42) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL9839518 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL7770712 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28856640 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL11137702 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL7770709 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL9839621 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28856639 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28303043 0.98 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT

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
US-5623087-A Method for preparation of optically active diarylalanines NDSU-RESEARCH FOUNDATION (US) 1997-04-22 US claimed
US-5939554-A Diarylaminopropanediol and diarylmethyl-oxazolidinone compounds NDSU RESEARCH FOUNDATION (US) 1999-08-17 US disclosed
US-5623087-A Method for preparation of optically active diarylalanines NDSU-RESEARCH FOUNDATION (US) 1997-04-22 US disclosed