SCHEMBL7280970

SCHEMBL7280970

C=CC[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N(CCOCc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.33
LTA4H P09960 1/20 0.32
DUT P33316 1/20 0.32
ELANE P08246 5/20 0.32
TK2 O00142 1/20 0.31
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
PKM P14618 1/20 0.31
FAAH O00519 2/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL7282618 0.88 ALDH1A1 (0.34) MEN1GAAKMT2AFAAHCHRNB4
SCHEMBL7275231 0.86 CHRNB4 (0.37) MEN1KMT2AELANECHRM3FAAH
SCHEMBL7275948 0.86 CHRNB4 (0.37) MEN1KMT2AELANECHRM3FAAH
SCHEMBL7281843 0.86 EHMT2 (0.35) KMT2AMAPTDUT
SCHEMBL7276617 0.85 FAAH (0.37) MEN1KMT2AELANECHRM3FAAH
SCHEMBL7283123 0.83 TEAD3 (0.42) TEAD3MEN1GAAKMT2AMAPT
SCHEMBL7275003 0.83 ELANE (0.37) TEAD3GAAMAPTLTA4HELANE
SCHEMBL7283379 0.83 SSTR5 (0.41) MEN1KMT2ALTA4HCHRNB4CHRNA3
SCHEMBL7274552 0.82 TK1 (0.34) TEAD3TK2
SCHEMBL7273697 0.80 HRH3 (0.34) ELANECHRM3

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed