SCHEMBL9323816

SCHEMBL9323816

CC(C)COCCC(=O)OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.51
▸ HTT P42858 2/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ EPHX1 P07099 3/20 0.40
▸ CYP19A1 P11511 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TP53 P04637 1/20 0.32

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
SCHEMBL17909418 0.89 NAAA (0.55) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL17909519 0.89 NAAA (0.55) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL9323732 0.81 NAAA (0.60) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL20210597 0.81 NAAA (0.60) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL20210659 0.80 NAAA (0.63) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL20210516 0.80 NAAA (0.63) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL585907 0.80 NAAA (0.57) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL7680176 0.80 NAAA (0.59) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL30801440 0.79 NAAA (0.62) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL3824784 0.79 NAAA (0.71) NAAAHTTCYP2C19EPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408635-B1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK CO (US) 1994-02-23 — — EP disclosed
US-5011977-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1991-04-30 — — US disclosed
EP-0408635-A1 TRANSESTERIFICATION OF ALKOXYESTERS. EASTMAN KODAK CO (US) 1991-01-23 — — EP disclosed
US-4898969-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1990-02-06 — — US disclosed
WO-1989009762-A1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK COMPANY (US) 1989-10-19 — — WO disclosed
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