SCHEMBL7423141

SCHEMBL7423141

O=C(OCc1ccccc1)c1cccc2[nH]c(CO)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
RHEB Q15382 4/20 0.48
LMNA P02545 2/20 0.47
MMP2 P08253 3/20 0.46
MMP12 P39900 3/20 0.46
MMP9 P14780 2/20 0.46
MMP1 P03956 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SRD5A2 P31213 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL5851095 0.83 ALDH1A1 (0.52) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL7421535 0.81 ALDH1A1 (0.50) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL7427823 0.80 MTNR1A (0.48) RHEBKMT2A
SCHEMBL7422222 0.79 LMNA (0.41) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL7425591 0.79 RHEB (0.47) ALDH1A1RHEBMAPK1KMT2AKDM4E
SCHEMBL7422802 0.78 ALOX5 (0.44) ALDH1A1LMNATSHRRAB9ASRD5A2
SCHEMBL12500666 0.77 ALDH1A1 (0.55) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL3105919 0.77 ALDH1A1 (0.55) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL7425507 0.77 SRD5A2 (0.48) ALDH1A1TDP1LMNAMMP2MMP12
SCHEMBL7425563 0.76 ALDH1A1 (0.56) ALDH1A1TDP1LMNAMMP2MMP12

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed