SCHEMBL9776380

SCHEMBL9776380

[CH2]CCCCCOC(=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
FKBP1A P62942 4/20 0.39
EPHX1 P07099 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11037986 0.98 ALDH1A1 (0.38) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL2835530 0.98 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL11041022 0.96 ALDH1A1 (0.39) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL2907680 0.93 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL8584529 0.93 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL3733817 0.91 ADRB2 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL28099782 0.91 ALDH1A1 (0.46) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL13291850 0.89 ALDH1A1 (0.47) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL9035818 0.87 SMN1; SMN2 (0.38) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL42565 0.85 ALDH1A1 (0.45) ALDH1A1FKBP1AADRB2ADRB1ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4906541-A Electrophotographic recording element containing a naphtholactam dye sensitizer BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed