SCHEMBL7028569

SCHEMBL7028569

CCCCC(CC)COc1ccc(C=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.57
ALDH1A1 P00352 11/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7024760 0.95 ALDH1A1 (0.53) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13647585 0.93 FDPS (0.47) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6689930 0.89 FDPS (0.67) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7031543 0.86 ALDH1A1 (0.42) FDPSALDH1A1TSHRMAPTLMNA
SCHEMBL7032879 0.85 ALDH1A1 (0.49) FDPSALDH1A1TSHRLMNARAB9A
SCHEMBL12707895 0.84 TDP1 (0.42) FDPSALDH1A1TSHRMAPTLMNA
SCHEMBL6226106 0.84 ALDH1A1 (0.62) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL9131699 0.82 ALDH1A1 (0.41) FDPSALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17357488 0.81 TDP1 (0.43) ALDH1A1TSHRSMN1; SMN2LMNATDP1
SCHEMBL17264216 0.81 ALDH1A1 (0.41) FDPSALDH1A1TSHRLMNATDP1

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
EP-0576974-B1 Benzyliden-quinuclidinones as sunscreen agents MERCK PATENT GMBH (DE) 2003-02-05 EP disclosed