SCHEMBL12487151

SCHEMBL12487151

CCCCCCCCCOC(=O)C(NC)c1ccc(O)cc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
ESR1 P03372 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
NR5A1 Q13285 1/20 0.46
EPHX1 P07099 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.41
HSD17B3 P37058 5/20 0.41
LTA4H P09960 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
SCHEMBL27451188 0.80 NR5A1 (0.51) LMNASMN1; SMN2TSHRESR1CYP1A2
SCHEMBL8928032 0.80 NR5A1 (0.51) LMNASMN1; SMN2TSHRESR1CYP1A2
SCHEMBL27861042 0.80 NR5A1 (0.51) LMNASMN1; SMN2TSHRESR1CYP1A2
Butane SCHEMBL28029368 0.78 TSHR (0.50) LMNASMN1; SMN2TSHRESR1CYP1A2
SCHEMBL10884235 0.77 LMNA (0.49) LMNASMN1; SMN2TSHRESR1CYP1A2
SCHEMBL17483400 0.75 ESR1 (0.53) SMN1; SMN2ESR1ALDH1A1
SCHEMBL12379279 0.75 ESR1 (0.53) SMN1; SMN2ESR1ALDH1A1
SCHEMBL1968988 0.75 ESR1 (0.53) SMN1; SMN2ESR1ALDH1A1
SCHEMBL388023 0.74 SMN1; SMN2 (0.60) LMNASMN1; SMN2TSHRESR1CYP1A2
SCHEMBL11638205 0.74 CTSK (0.47) LMNASMN1; SMN2TSHRESR1CYP1A2

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
WO-2012115936-A2 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2012-08-30 WO claimed
CN-101356217-A Blowing agents for forming foam comprising unsaturated fluorocarbons DU PONT (US) 2009-01-28 CN disclosed
CN-101300296-A Blowing agents for forming foam comprising unsaturated fluorocarbons DU PONT (US) 2008-11-05 CN disclosed