SCHEMBL7338349

SCHEMBL7338349

OC(CCc1ccccc1)c1cnc2sc3c(n12)CCCCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ABCB1 P08183 6/20 0.38
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 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
SCHEMBL7338466 1.00 DCTPP1 (0.41) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7338395 0.99 DCTPP1 (0.42) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7329929 0.97 DCTPP1 (0.40) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7337801 0.93 DCTPP1 (0.40) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7336325 0.90 HCAR2 (0.39) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7329785 0.88 MAPT (0.42) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7897255 0.88 MAPT (0.40) DCTPP1MAPTALDH1A1LMNAKMT2A
SCHEMBL7337608 0.75 RAB9A (0.43) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL7335512 0.75 DCTPP1 (0.43) DCTPP1ALDH1A1LMNAKDM4EGAA
SCHEMBL7330585 0.70 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US claimed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP claimed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO claimed
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed