SCHEMBL8973261

SCHEMBL8973261

C=CCOC(=O)Cc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP3A4 P08684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
RHOA P61586 1/20 0.38
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.35
LIG1 P18858 1/20 0.35
PAM P19021 1/20 0.34

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
SCHEMBL28030373 0.88 CYP3A4 (0.56) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL31290664 0.82 CYP3A4 (0.50) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL11497779 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL878244 0.81 CYP3A4 (0.49) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL7113446 0.81 CYP3A4 (0.49) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL3266396 0.81 CYP3A4 (0.49) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL11128484 0.79 CYP3A4 (0.47) ALDH1A1TSHRHSD17B10CYP3A4NPSR1
SCHEMBL28521498 0.78 TDP1 (0.54) ALDH1A1CYP3A4NPSR1SMN1; SMN2PKM
SCHEMBL6032361 0.78 L3MBTL1 (0.47) TSHRCYP3A4NPSR1SMN1; SMN2MEN1
SCHEMBL3142760 0.78 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270076-B1 IMIDAZOLE DERIVATIVES AND A PROCESS FOR THEIR PREPARATION LONZA AG (CH) 1991-10-09 EP claimed
US-4851540-A Process for the production of biotin precursors LONZA LTD. (CH) 1989-07-25 US claimed
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-B1 SUBSTITUTED-DI-T-BUTYLPHENOLS RIKER LABORATORIES, INC. (US) 1990-12-05 EP disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed