SCHEMBL7022796

SCHEMBL7022796

CCCCC(CC)COc1ccc(C=C2C(=O)C3CCN2CC3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 3/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
IGF1R P08069 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7022795 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9131692 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9131699 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9132199 0.96 ALDH1A1 (0.44) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9132204 0.96 ALDH1A1 (0.44) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9130964 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9130971 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9134274 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9134266 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDTHRBSMN1; SMN2
SCHEMBL9130383 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDTHRBSMN1; 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-0576974-B1 Benzyliden-quinuclidinones as sunscreen agents MERCK PATENT GMBH (DE) 2003-02-05 EP claimed
US-5399563-A Sunscreen agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-21 US claimed
US-5399563-A Sunscreen agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-21 US disclosed