SCHEMBL9632450

SCHEMBL9632450

CCCCCCCCC(N)(N)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
CES2 O00748 3/20 0.50
NAAA Q02083 1/20 0.49
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.43
MLYCD O95822 1/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL29726624 1.00 CES1 (0.50) CES1CES2NAAAKCNH2GAA
SCHEMBL20379017 0.98 CES1 (0.49) CES1CES2NAAAKCNH2GAA
SCHEMBL9631027 0.93 CES1 (0.47) CES1CES2NAAAKCNH2LMNA
SCHEMBL9630992 0.86 CES1 (0.45) CES1CES2NAAAGAAKDM4E
SCHEMBL15993577 0.84 CES2 (0.47) CES1CES2NAAAKCNH2GAA
SCHEMBL29287232 0.84 CES2 (0.47) CES1CES2NAAAKCNH2GAA
SCHEMBL11416528 0.83 CES1 (0.47) CES1CES2NAAAKCNH2GAA
SCHEMBL27956887 0.82 HTR7 (0.51) CES1CES2GAAMLYCDS1PR1
SCHEMBL11782068 0.81 CES1 (0.51) CES1CES2NAAAKCNH2GAA
SCHEMBL11664524 0.81 CES1 (0.51) CES1CES2NAAAKCNH2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368903-B1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) AlliedSignal Inc. (US) 1992-08-26 EP disclosed
EP-0368903-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE). ALLIED SIGNAL INC (US) 1990-05-23 EP disclosed
WO-1989000171-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) ALLIED-SIGNAL INC. (US) 1989-01-12 WO disclosed
US-4767839-A LIQUID CRYSTAL-FROM A DIACID AND DIESTERDIAMINE ALLIED-SIGNAL INC. (US) 1988-08-30 US disclosed