SCHEMBL8814842

SCHEMBL8814842

COc1ccc(Cc2cccc3[nH]c(-c4cc(OC)c(OC)c(OC)c4)nc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.55
▸ SLC2A1 P11166 1/20 0.46
▸ MGAM O43451 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ PLA2G2A P14555 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42

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
SCHEMBL8818589 0.91 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8891814 0.91 PARP1 (0.57) PARP1MGAMGAASIMGAM2
SCHEMBL8818832 0.90 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8817568 0.90 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8818845 0.86 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8818754 0.86 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8818794 0.85 PARP1 (0.56) PARP1MGAMGAASIMGAM2
SCHEMBL8817577 0.85 PARP1 (0.58) PARP1MGAMGAASIMGAM2
SCHEMBL8814833 0.85 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8818551 0.84 MAPT (0.47) PARP1DHODHTP53MAPTTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
Send feedback