SCHEMBL7748988

SCHEMBL7748988

CCCC(=O)OC(C)OC(=O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAOA P21397 2/20 0.50
TSHR P16473 3/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL4334155 0.85 LMNA (0.55) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10880499 0.80 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10533713 0.77 LMNA (0.50) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL7751530 0.77 ALDH1A1 (0.53) CYP3A4TSHRNPC1RAB9AALDH1A1
SCHEMBL9068123 0.76 LMNA (0.54) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL7749774 0.76 LMNA (0.64) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL20663411 0.76 LMNA (0.58) LMNACYP1A2CYP3A4MAOATSHR
Hydrochloric Acid SCHEMBL7744351 0.75 LMNA (0.62) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL3320116 0.75 CA12 (0.68) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL9723682 0.74 LMNA (0.47) 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