SCHEMBL11037986

SCHEMBL11037986

[CH2]CCCCCOC(=O)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
FKBP1A P62942 4/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
EPHX2 P34913 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 1/20 0.35
MDM2 Q00987 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9776380 0.98 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL11041022 0.98 ALDH1A1 (0.39) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL2835530 0.96 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL3733817 0.92 ADRB2 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL2907680 0.91 ALDH1A1 (0.42) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL8584529 0.91 ALDH1A1 (0.42) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL9035818 0.89 SMN1; SMN2 (0.38) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL28099782 0.88 ALDH1A1 (0.46) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL13291850 0.86 ALDH1A1 (0.47) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL11171984 0.86 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed