SCHEMBL7940546

SCHEMBL7940546

CCOc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.58
PDE5A O76074 11/20 0.49
PDE1A P54750 5/20 0.49
PDE1B Q01064 5/20 0.49
PDE1C Q14123 5/20 0.49
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9295923 0.90 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL11710197 0.89 PDE5A (0.54) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11624906 0.89 GUSB (0.54) GUSBPDE5APDE1APDE1BPDE1C
Potassium Ion SCHEMBL11709053 0.88 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11711295 0.88 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11707366 0.88 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11628793 0.88 KDM4E (0.57) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11707410 0.86 PDE5A (0.47) GUSBPDE5A
SCHEMBL11629702 0.84 KDM6B (0.44) GUSBPDE5A
SCHEMBL11711629 0.84 GAA (0.45) GUSB

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-6239136-B1 REGULATING APOPTOSIS IN HUMAN CELLS HAVING AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2001-05-29 US disclosed
US-5874440-A ADMINISTERING TO THE PATIENT HAVING PRECANCEROUS LESIONS TO INHIBIT GROWTH OF NEOPLASTIC CELLS CELL PATHWAYS, INC. (US) 1999-02-23 US disclosed
US-4209623-A ANTIASTHMA BRISTOL-MYERS COMPANY (US) 1980-06-24 US disclosed
US-4031093-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1977-06-21 US disclosed