SCHEMBL11219302

SCHEMBL11219302

COc1cc(C=O)ccc1C#CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ TRIM24 O15164 1/20 0.53
▸ ALDH5A1 P51649 1/20 0.53
▸ ABAT P80404 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TRIM33 Q9UPN9 1/20 0.53
▸ FDPS P14324 1/20 0.50
▸ AOX1 Q06278 1/20 0.49
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TTR P02766 1/20 0.43
▸ ALDH1A3 P47895 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41

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
SCHEMBL22031541 0.79 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL3291788 0.78 KDM4E (0.50) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL28690275 0.78 CA12 (0.47) ALDH1A1HPGDMAPTCYP1A2
SCHEMBL31098032 0.77 ALDH1A1 (0.54) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL28415836 0.77 ALDH1A1 (0.54) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL18031255 0.76 CA12 (0.56) ALDH1A1TSHRKDM4ETTRLMNA
SCHEMBL31261976 0.76 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL286401 0.76 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL16545001 0.75 MAPT (0.51) ALDH1A1TSHRHPGDPOLBSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL10966976 0.74 ALDH1A1 (0.81) ALDH1A1TSHRHPGDTRIM24ALDH5A1

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-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 — — US disclosed
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