SCHEMBL6228567

SCHEMBL6228567

COc1ccc(C=O)cc1OCC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.66
▸ TSHR P16473 1/20 0.66
▸ FDPS P14324 1/20 0.61
▸ PDE4B Q07343 1/20 0.59
▸ MAPT P10636 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HTT P42858 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 3/20 0.51
▸ AOX1 Q06278 1/20 0.51
▸ TRIM24 O15164 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.51
▸ ABAT P80404 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL416228 0.86 ALDH1A1 (0.64) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL7661907 0.83 FDPS (0.86) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL19016788 0.82 FDPS (0.73) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL30416638 0.81 ALDH1A1 (0.72) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL5974454 0.81 FDPS (0.77) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL754958 0.81 ALDH1A1 (0.72) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
SCHEMBL17831728 0.81 ALDH1A1 (0.47) ALDH1A1TSHRFDPSPDE4BMAPT
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.80 ALDH1A1 (1.00) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.80 ALDH1A1 (1.00) ALDH1A1TSHRFDPSMAPTSMN1; SMN2
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.80 ALDH1A1 (1.00) ALDH1A1TSHRFDPSMAPTSMN1; SMN2

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
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 — — EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 — — US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 — — EP disclosed
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