SCHEMBL7836782

SCHEMBL7836782

O=C(Nc1ccc(-n2cc(COC3CCCCO3)cn2)c(F)c1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
ROCK2 O75116 1/20 0.40
SCD O00767 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MGLL Q99685 3/20 0.38
RORC P51449 2/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ICAM1 P05362 1/20 0.36

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
SCHEMBL7843556 0.81 MGLL (0.47) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL13054802 0.80 PTGDR2 (0.44) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL6337577 0.80 MAPT (0.41) CREBBPEP300NPC1ALDH1A1TP53
SCHEMBL6345336 0.80 MAPT (0.41) CREBBPEP300NPC1ALDH1A1TP53
SCHEMBL3753454 0.77 MGLL (0.49) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL4011732 0.76 MGLL (0.47) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL4012419 0.75 PTGDR2 (0.45) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL7844206 0.75 MGLL (0.47) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL3759889 0.74 NAMPT (0.48) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL2529947 0.73 CREBBP (0.53) CREBBPEP300NPC1ALDH1A1TP53

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
EP-0807112-B1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2001-09-05 EP disclosed
US-6124334-A A BACTERICIDE TREATING INFECTIONS CAUSED BY GRAM-POSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS AS WELL AS ANAEROBIC ORGANISMS SUCH AS BACTEROIDES AND CLOSTRIDIUM AND MYCOBACTERIDIUM PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US disclosed
US-5910504-A BACTERICIDES TREATING INFECTIONS PHARMACIA & UPJOHN (US) 1999-06-08 US disclosed
WO-1996023788-A1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA + UPJOHN COMPANY (US) 1996-08-08 WO disclosed