SCHEMBL7749774

SCHEMBL7749774

CCCC(=O)OCOC(=O)c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
CYP1A2 P05177 4/20 0.64
CYP3A4 P08684 3/20 0.64
MAOA P21397 2/20 0.64
TSHR P16473 4/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
PDE4D Q08499 1/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
CYP2D6 P10635 3/20 0.53
HTR3A P46098 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52

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
Hydrochloric Acid SCHEMBL7744351 0.98 LMNA (0.62) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL2946645 0.86 LMNA (0.70) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL21025449 0.80 LMNA (0.74) LMNACYP1A2CYP3A4MAOATSHR
Risocaine SCHEMBL118038 0.79 LMNA (0.80) LMNACYP1A2CYP3A4MAOATSHR
Benzocaine SCHEMBL2389408 0.79 LMNA (0.92) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL514974 0.79 LMNA (0.67) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL7749799 0.78 MAPT (0.65) LMNATSHRRAB9AALDH1A1MAPT
Benzocaine SCHEMBL25100 0.78 LMNA (1.00) LMNACYP1A2CYP3A4MAOATSHR
Benzocaine SCHEMBL1235972 0.78 LMNA (1.00) LMNACYP1A2CYP3A4MAOATSHR
Risocaine SCHEMBL21873190 0.77 LMNA (0.77) LMNACYP1A2CYP3A4MAOATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973389-A4 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2001-01-24 EP claimed
EP-0973389-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2000-01-26 EP claimed
US-5939455-A Therapeutic augmentation of oxyalkylene diesters and butyric acid derivatives BEACON LABORATORIES, INC. (US) 1999-08-17 US claimed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO claimed
WO-1998039966-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-09-17 WO claimed
EP-0973389-A4 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2001-01-24 EP disclosed
US-6110970-A FOR TREATING OR PREVENTING OR AMELIORATING CANCER AND OTHER PROLIFERATIVE DISEASES AS WELL AS FOR INDUCING WOUND HEALING, TREATING CUTANEOUS ULCERS, TREATING GASTROINTESTINAL DISORDERS, TREATING BLOOD DISORDERS SUCH AS ANEMIAS BEACON LABORATORIES, INC. (US) 2000-08-29 US disclosed
EP-0973389-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2000-01-26 EP disclosed
US-5939455-A Therapeutic augmentation of oxyalkylene diesters and butyric acid derivatives BEACON LABORATORIES, INC. (US) 1999-08-17 US disclosed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO disclosed
WO-1998039966-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-09-17 WO disclosed