SCHEMBL8083975

SCHEMBL8083975

CCCCCCCCC(OC)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.47
CES2 O00748 3/20 0.47
NAAA Q02083 1/20 0.46
CETP P11597 3/20 0.43
SRC P12931 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4591841 0.98 CES1 (0.47) CES1CES2NAAACETPSRC
SCHEMBL15651 0.94 CES1 (0.49) CES1CES2NAAACETPSRC
SCHEMBL3675573 0.93 CES1 (0.44) CES1CES2NAAACETPSRC
Water SCHEMBL28127793 0.92 CES1 (0.47) CES1CES2NAAACETPSRC
Methane SCHEMBL16506198 0.92 CES1 (0.47) CES1CES2NAAACETPSRC
SCHEMBL416551 0.89 CES1 (0.40) CES1CES2NAAACETPTSHR
Benzophenone SCHEMBL2843986 0.89 CES1 (0.45) CES1CES2NAAASRC
SCHEMBL21239897 0.87 CES1 (0.41) CES1CES2NAAASRCGAA
Dibenzoylmethane SCHEMBL2905077 0.87 KMT2A (0.49) CES1CES2NAAASRC
Pyrrole SCHEMBL27588201 0.87 CES1 (0.43) CES1CES2NAAASRCKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084118-A Sunscreening composition comprising natural products of a marine hydroid and derivatives thereof LINDQUIST NIELS L (US) 2000-07-04 US disclosed
US-5980920-A Antioxidant compositions LINDQUIST NIELS L (US) 1999-11-09 US disclosed
EP-0936895-A4 1999-09-08 EP disclosed
EP-0936895-A1 SUNSCREENING COMPOSITIONS COMPRISING NATURAL PRODUCTS OF A MARINE HYDROID, AND DERIVATIVES THEREOF Lindquist, Niels L. (US) 1999-08-25 EP disclosed
US-5905158-A Sunscreening compositions comprising natural products of a marine hydroid, and derivative thereof LINDQUIST NIELS L (US) 1999-05-18 US disclosed
US-5705146-A Sunscreening compositions comprising natural products of a marine hydroid, and derivatives thereof LINDQUIST NIELS L (US) 1998-01-06 US disclosed
WO-1997019671-A1 SUNSCREENING COMPOSITIONS COMPRISING NATURAL PRODUCTS OF A MARINE HYDROID, AND DERIVATIVES THEREOF LINDQUIST NIELS L (US) 1997-06-05 WO disclosed