SCHEMBL9505345

SCHEMBL9505345

COc1ccc(C=O)cc1CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
TSHR P16473 1/20 0.50
AOX1 Q06278 1/20 0.50
FDPS P14324 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12635572 0.82 HSD17B10 (0.64) ALDH1A1TSHRAOX1FDPSNPSR1
SCHEMBL30285852 0.82 HSD17B10 (0.64) ALDH1A1TSHRAOX1FDPSNPSR1
SCHEMBL2967999 0.81 ALDH1A1 (0.51) ALDH1A1TSHRAOX1FDPSNPSR1
SCHEMBL11433418 0.81 HSD17B10 (0.67) POLB
SCHEMBL7344641 0.81 ALDH1A1 (0.54) ALDH1A1TSHRAOX1FDPSNPSR1
SCHEMBL10836064 0.81 SLC13A5 (0.59) ALDH1A1TSHRPOLB
SCHEMBL8996459 0.81 FFAR4 (0.56) ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL7420216 0.80 ALDH1A1 (0.58) ALDH1A1TSHRAOX1FDPSNPSR1
SCHEMBL2559267 0.80 FDPS (0.72) ALDH1A1TSHRFDPSNPSR1NPC1
SCHEMBL2933054 0.79 FDPS (0.54) ALDH1A1TSHRAOX1FDPSNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300325-B1 COMPOSITIONS FOR PROMOTING GROWTH OF ANIMALS COMETEC S.r.l. (IT) 1993-06-16 EP disclosed
US-4950669-A SIDE EFFECT REDUCTION COMETEC S.R.L. (IT) 1990-08-21 US disclosed
EP-0300325-A2 Compositions for promoting growth of animals COMETEC S.r.l. (IT) 1989-01-25 EP disclosed
US-4115570-A CENTRAL NERVOUS SYSTEM DEPRESSANTS ISTITUTO CHEMIOTERAPICO ITALIANO, S.P.A. (IT) 1978-09-19 US disclosed