SCHEMBL8095115

SCHEMBL8095115

C=CCC(c1cccc2ccccc12)C(OC)C(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ METAP2 P50579 2/20 0.37
▸ METAP1 P53582 2/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CSNK1A1 P48729 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL14720629 0.75 CYP19A1 (0.52) ACP3MEN1KMT2ALMNAMETAP2
SCHEMBL14720630 0.75 CYP19A1 (0.52) ACP3MEN1KMT2ALMNAMETAP2
SCHEMBL7201755 0.69 CYP2C9 (0.40) ACP3KMT2AMETAP2METAP1ALDH1A1
SCHEMBL7038146 0.68 ACP3 (0.39) ACP3MEN1KMT2ALMNAMETAP2
SCHEMBL7038143 0.68 MEN1 (0.41) ACP3MEN1KMT2ALMNAMETAP2
SCHEMBL19183344 0.65 CYP19A1 (0.43) EPHX1ALDH1A1NPSR1SMN1; SMN2CYP19A1
SCHEMBL296009 0.65 CYP19A1 (0.43) EPHX1ALDH1A1NPSR1SMN1; SMN2CYP19A1
SCHEMBL3381619 0.65 NPBWR1 (0.40) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL19105297 0.65 NAAA (0.40) EPHX1ALDH1A1NPSR1CYP19A1CYP2C19
SCHEMBL27605495 0.64 EPHX1 (0.48) MEN1KMT2AEPHX1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061890-A1 FRAGRANCED COSMETIC PRODUCT UNILEVER PLC (GB) 2000-12-27 — — EP disclosed
WO-1999045891-A1 FRAGRANCED COSMETIC PRODUCT UNILEVER PLC (GB) 1999-09-16 — — WO disclosed
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